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- PDB-4v67: Crystal structure of a translation termination complex formed wit... -

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Basic information

Entry
Database: PDB / ID: 4v67
TitleCrystal structure of a translation termination complex formed with release factor RF2.
Components
  • (30S ribosomal protein ...) x 20
  • (50S ribosomal protein ...) x 29
  • 16S RRNA
  • 23S RRNA23S ribosomal RNA
  • 5S RRNA5S ribosomal RNA
  • Bacterial peptide chain release factor 2 (RF-2)
  • MRNAMessenger RNA
  • P AND E-SITE TRNA(FMET)
KeywordsRIBOSOME / RF2 / TERMINATION / TRNA
Function / homology
Function and homology information


translation release factor activity, codon specific / large ribosomal subunit rRNA binding / large ribosomal subunit / small ribosomal subunit / 5S rRNA binding / transferase activity / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome ...translation release factor activity, codon specific / large ribosomal subunit rRNA binding / large ribosomal subunit / small ribosomal subunit / 5S rRNA binding / transferase activity / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / translation / ribonucleoprotein complex / mRNA binding / zinc ion binding / metal ion binding / cytoplasm
Similarity search - Function
Peptide chain release factor 2 / Peptide chain release factor / PCRF domain / PCRF / Peptide chain release factor class I superfamily / Prokaryotic-type class I peptide chain release factors signature. / Peptide chain release factor class I / RF-1 domain / 30S ribosomal protein Thx / 30S ribosomal protein Thx ...Peptide chain release factor 2 / Peptide chain release factor / PCRF domain / PCRF / Peptide chain release factor class I superfamily / Prokaryotic-type class I peptide chain release factors signature. / Peptide chain release factor class I / RF-1 domain / 30S ribosomal protein Thx / 30S ribosomal protein Thx / 30S ribosomal protein / Ribosomal protein L25, long-form / Ribosomal protein L25, beta domain / Ribosomal protein L25, C-terminal / Ribosomal protein TL5, C-terminal domain / Ribosomal protein S14, type Z / Ribosomal protein L11, bacterial-type / Ribosomal protein L31 type A / Ribosomal protein L31 signature. / Ribosomal protein L31 / Ribosomal protein L31 superfamily / Ribosomal protein L31 / Ribosomal protein L11, conserved site / Ribosomal protein L11 signature. / Ribosomal protein L11, N-terminal / Ribosomal protein L9 signature. / Ribosomal protein L9, bacteria/chloroplast / Ribosomal protein L9, C-terminal / Ribosomal protein L9, C-terminal domain / Ribosomal protein L9, C-terminal domain superfamily / Ribosomal protein L11/L12 / Ribosomal protein L11, C-terminal / Ribosomal protein L11, C-terminal domain superfamily / Ribosomal protein L11/L12, N-terminal domain superfamily / Ribosomal protein L11/L12 / Ribosomal protein L11, N-terminal domain / Ribosomal protein L11, RNA binding domain / Ribosomal L25p family / Ribosomal protein L25 / Ribosomal protein S14/S29 / Ribosomal protein L25/Gln-tRNA synthetase, N-terminal / Ribosomal protein L32p, bacterial type / Ribosomal protein L25/Gln-tRNA synthetase, anti-codon-binding domain superfamily / Ribosomal protein L9, N-terminal domain superfamily / Ribosomal protein L9 / Ribosomal protein L9, N-terminal / Ribosomal protein L9, N-terminal domain / Ribosomal protein L28 / Ribosomal protein L35, conserved site / Ribosomal protein L35 signature. / Ribosomal protein L33, conserved site / Ribosomal protein L33 signature. / Ribosomal protein L35, non-mitochondrial / Ribosomal protein L5, bacterial-type / Ribosomal protein L6, bacterial-type / Ribosomal protein L18, bacterial-type / Ribosomal protein L19, conserved site / Ribosomal protein L19 signature. / Ribosomal protein L9/RNase H1, N-terminal / Ribosomal protein L20 signature. / Ribosomal protein S3, bacterial-type / Ribosomal protein L27, conserved site / Ribosomal protein S6, conserved site / Ribosomal protein L27 signature. / Ribosomal protein S6 signature. / Ribosomal protein S19, bacterial-type / Ribosomal protein S7, bacterial/organellar-type / Ribosomal protein S11, bacterial-type / Ribosomal protein S13, bacterial-type / Ribosomal protein S20 / Ribosomal protein S20 superfamily / Ribosomal protein S20 / Ribosomal protein S9, bacterial/plastid / Ribosomal protein L14P, bacterial-type / Ribosomal protein S4, bacterial-type / Ribosomal protein L34, conserved site / Ribosomal protein L34 signature. / 30S ribosomal protein S17 / Ribosomal protein S5, bacterial-type / Ribosomal protein L22, bacterial/chloroplast-type / Ribosomal protein S6, plastid/chloroplast / Ribosomal protein L35 / Ribosomal protein L35 superfamily / Ribosomal protein L2, bacterial/organellar-type / Ribosomal protein L35 / Ribosomal protein S2, bacteria/mitochondria/plastid / Ribosomal L28 family / Ribosomal protein L33 / Ribosomal protein L33 / Ribosomal protein L28/L24 / Ribosomal protein L33 superfamily / : / Ribosomal protein L30, bacterial-type / Ribosomal protein L16 / Ribosomal protein L18 / Ribosomal L18 of archaea, bacteria, mitoch. and chloroplast / Ribosomal protein S18, conserved site / Ribosomal protein S18 signature. / L28p-like / Ribosomal protein L20
Similarity search - Domain/homology
: / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Large ribosomal subunit protein uL11 / Large ribosomal subunit protein uL14 / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein bS16 / Small ribosomal subunit protein bTHX ...: / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Large ribosomal subunit protein uL11 / Large ribosomal subunit protein uL14 / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein bS16 / Small ribosomal subunit protein bTHX / Large ribosomal subunit protein bL32 / Small ribosomal subunit protein uS10 / Small ribosomal subunit protein uS11 / Small ribosomal subunit protein uS13 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS15 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein bS18 / Small ribosomal subunit protein uS19 / Small ribosomal subunit protein bS20 / Small ribosomal subunit protein uS2 / Small ribosomal subunit protein uS3 / Small ribosomal subunit protein uS4 / Small ribosomal subunit protein uS5 / Small ribosomal subunit protein bS6 / Small ribosomal subunit protein uS7 / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS9 / Large ribosomal subunit protein bL34 / Large ribosomal subunit protein uL24 / Large ribosomal subunit protein bL28 / Peptide chain release factor 2 / Large ribosomal subunit protein bL9 / Large ribosomal subunit protein bL33 / Large ribosomal subunit protein bL21 / Large ribosomal subunit protein bL27 / Large ribosomal subunit protein uL3 / Large ribosomal subunit protein uL4 / Large ribosomal subunit protein uL23 / Large ribosomal subunit protein uL2 / Large ribosomal subunit protein uL22 / Large ribosomal subunit protein uL16 / Large ribosomal subunit protein uL29 / Large ribosomal subunit protein uL14 / Large ribosomal subunit protein uL24 / Large ribosomal subunit protein uL5 / Large ribosomal subunit protein uL6 / Large ribosomal subunit protein uL18 / Large ribosomal subunit protein uL30 / Large ribosomal subunit protein uL15 / Large ribosomal subunit protein bL17 / Large ribosomal subunit protein bL25 / Large ribosomal subunit protein uL13 / Large ribosomal subunit protein bL31 / Large ribosomal subunit protein bL19 / Large ribosomal subunit protein bL20 / Large ribosomal subunit protein bL35
Similarity search - Component
Biological speciesThermus thermophilus (bacteria)
Escherichia coli (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 3 Å
AuthorsKorostelev, A. / Asahara, H. / Lancaster, L. / Laurberg, M. / Hirschi, A. / Noller, H.F.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2008
Title: Crystal structure of a translation termination complex formed with release factor RF2.
Authors: Korostelev, A. / Asahara, H. / Lancaster, L. / Laurberg, M. / Hirschi, A. / Zhu, J. / Trakhanov, S. / Scott, W.G. / Noller, H.F.
History
DepositionOct 27, 2008Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 9, 2014Provider: repository / Type: Initial release
SupersessionDec 10, 2014ID: 3F1E, 3F1F, 3F1G, 3F1H
Revision 1.1Dec 10, 2014Group: Other
Revision 1.2Sep 20, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_PDB_ins_code / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_PDB_ins_code / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_ptnr1_PDB_ins_code / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_ref_seq_dif.details

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
AA: 16S RRNA
AZ: P AND E-SITE TRNA(FMET)
AV: MRNA
AY: P AND E-SITE TRNA(FMET)
AB: 30S ribosomal protein S2
AC: 30S ribosomal protein S3
AD: 30S ribosomal protein S4
AE: 30S ribosomal protein S5
AF: 30S ribosomal protein S6
AG: 30S ribosomal protein S7
AH: 30S ribosomal protein S8
AI: 30S ribosomal protein S9
AJ: 30S ribosomal protein S10
AK: 30S ribosomal protein S11
AL: 30S ribosomal protein S12
AM: 30S ribosomal protein S13
AN: 30S ribosomal protein S14
AO: 30S ribosomal protein S15
AP: 30S ribosomal protein S16
AQ: 30S ribosomal protein S17
AR: 30S ribosomal protein S18
AS: 30S ribosomal protein S19
AT: 30S ribosomal protein S20
AU: 30S ribosomal protein Thx
AX: Bacterial peptide chain release factor 2 (RF-2)
BA: 23S RRNA
BB: 5S RRNA
BD: 50S ribosomal protein L2
BE: 50S ribosomal protein L3
BF: 50S ribosomal protein L4
BG: 50S ribosomal protein L5
BH: 50S ribosomal protein L6
BI: 50S ribosomal protein L9
BK: 50S ribosomal protein L11
BN: 50S ribosomal protein L13
BO: 50S ribosomal protein L14
BP: 50S ribosomal protein L15
BQ: 50S ribosomal protein L16
BR: 50S ribosomal protein L17
BS: 50S ribosomal protein L18
BT: 50S ribosomal protein L19
BU: 50S ribosomal protein L20
BV: 50S ribosomal protein L21
BW: 50S ribosomal protein L22
BX: 50S ribosomal protein L23
BY: 50S ribosomal protein L24
BZ: 50S ribosomal protein L25
B0: 50S ribosomal protein L27
B1: 50S ribosomal protein L28
B2: 50S ribosomal protein L29
B3: 50S ribosomal protein L30
B4: 50S ribosomal protein L31
B5: 50S ribosomal protein L32
B6: 50S ribosomal protein L33
B7: 50S ribosomal protein L34
B8: 50S ribosomal protein L35
CA: 16S RRNA
CZ: P AND E-SITE TRNA(FMET)
CV: MRNA
CY: P AND E-SITE TRNA(FMET)
CB: 30S ribosomal protein S2
CC: 30S ribosomal protein S3
CD: 30S ribosomal protein S4
CE: 30S ribosomal protein S5
CF: 30S ribosomal protein S6
CG: 30S ribosomal protein S7
CH: 30S ribosomal protein S8
CI: 30S ribosomal protein S9
CJ: 30S ribosomal protein S10
CK: 30S ribosomal protein S11
CL: 30S ribosomal protein S12
CM: 30S ribosomal protein S13
CN: 30S ribosomal protein S14
CO: 30S ribosomal protein S15
CP: 30S ribosomal protein S16
CQ: 30S ribosomal protein S17
CR: 30S ribosomal protein S18
CS: 30S ribosomal protein S19
CT: 30S ribosomal protein S20
CU: 30S ribosomal protein Thx
CX: Bacterial peptide chain release factor 2 (RF-2)
DA: 23S RRNA
DB: 5S RRNA
DD: 50S ribosomal protein L2
DE: 50S ribosomal protein L3
DF: 50S ribosomal protein L4
DG: 50S ribosomal protein L5
DH: 50S ribosomal protein L6
DI: 50S ribosomal protein L9
DK: 50S ribosomal protein L11
DN: 50S ribosomal protein L13
DO: 50S ribosomal protein L14
DP: 50S ribosomal protein L15
DQ: 50S ribosomal protein L16
DR: 50S ribosomal protein L17
DS: 50S ribosomal protein L18
DT: 50S ribosomal protein L19
DU: 50S ribosomal protein L20
DV: 50S ribosomal protein L21
DW: 50S ribosomal protein L22
DX: 50S ribosomal protein L23
DY: 50S ribosomal protein L24
DZ: 50S ribosomal protein L25
D0: 50S ribosomal protein L27
D1: 50S ribosomal protein L28
D2: 50S ribosomal protein L29
D3: 50S ribosomal protein L30
D5: 50S ribosomal protein L32
D6: 50S ribosomal protein L33
D7: 50S ribosomal protein L34
D8: 50S ribosomal protein L35
D4: 50S ribosomal protein L31
hetero molecules


Theoretical massNumber of molelcules
Total (without water)4,621,7852504
Polymers4,563,483112
Non-polymers58,3022392
Water0
1
AA: 16S RRNA
AZ: P AND E-SITE TRNA(FMET)
AV: MRNA
AY: P AND E-SITE TRNA(FMET)
AB: 30S ribosomal protein S2
AC: 30S ribosomal protein S3
AD: 30S ribosomal protein S4
AE: 30S ribosomal protein S5
AF: 30S ribosomal protein S6
AG: 30S ribosomal protein S7
AH: 30S ribosomal protein S8
AI: 30S ribosomal protein S9
AJ: 30S ribosomal protein S10
AK: 30S ribosomal protein S11
AL: 30S ribosomal protein S12
AM: 30S ribosomal protein S13
AN: 30S ribosomal protein S14
AO: 30S ribosomal protein S15
AP: 30S ribosomal protein S16
AQ: 30S ribosomal protein S17
AR: 30S ribosomal protein S18
AS: 30S ribosomal protein S19
AT: 30S ribosomal protein S20
AU: 30S ribosomal protein Thx
AX: Bacterial peptide chain release factor 2 (RF-2)
BA: 23S RRNA
BB: 5S RRNA
BD: 50S ribosomal protein L2
BE: 50S ribosomal protein L3
BF: 50S ribosomal protein L4
BG: 50S ribosomal protein L5
BH: 50S ribosomal protein L6
BI: 50S ribosomal protein L9
BK: 50S ribosomal protein L11
BN: 50S ribosomal protein L13
BO: 50S ribosomal protein L14
BP: 50S ribosomal protein L15
BQ: 50S ribosomal protein L16
BR: 50S ribosomal protein L17
BS: 50S ribosomal protein L18
BT: 50S ribosomal protein L19
BU: 50S ribosomal protein L20
BV: 50S ribosomal protein L21
BW: 50S ribosomal protein L22
BX: 50S ribosomal protein L23
BY: 50S ribosomal protein L24
BZ: 50S ribosomal protein L25
B0: 50S ribosomal protein L27
B1: 50S ribosomal protein L28
B2: 50S ribosomal protein L29
B3: 50S ribosomal protein L30
B4: 50S ribosomal protein L31
B5: 50S ribosomal protein L32
B6: 50S ribosomal protein L33
B7: 50S ribosomal protein L34
B8: 50S ribosomal protein L35
hetero molecules


Theoretical massNumber of molelcules
Total (without water)2,320,4451645
Polymers2,281,74256
Non-polymers38,7031589
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
CA: 16S RRNA
CZ: P AND E-SITE TRNA(FMET)
CV: MRNA
CY: P AND E-SITE TRNA(FMET)
CB: 30S ribosomal protein S2
CC: 30S ribosomal protein S3
CD: 30S ribosomal protein S4
CE: 30S ribosomal protein S5
CF: 30S ribosomal protein S6
CG: 30S ribosomal protein S7
CH: 30S ribosomal protein S8
CI: 30S ribosomal protein S9
CJ: 30S ribosomal protein S10
CK: 30S ribosomal protein S11
CL: 30S ribosomal protein S12
CM: 30S ribosomal protein S13
CN: 30S ribosomal protein S14
CO: 30S ribosomal protein S15
CP: 30S ribosomal protein S16
CQ: 30S ribosomal protein S17
CR: 30S ribosomal protein S18
CS: 30S ribosomal protein S19
CT: 30S ribosomal protein S20
CU: 30S ribosomal protein Thx
CX: Bacterial peptide chain release factor 2 (RF-2)
DA: 23S RRNA
DB: 5S RRNA
DD: 50S ribosomal protein L2
DE: 50S ribosomal protein L3
DF: 50S ribosomal protein L4
DG: 50S ribosomal protein L5
DH: 50S ribosomal protein L6
DI: 50S ribosomal protein L9
DK: 50S ribosomal protein L11
DN: 50S ribosomal protein L13
DO: 50S ribosomal protein L14
DP: 50S ribosomal protein L15
DQ: 50S ribosomal protein L16
DR: 50S ribosomal protein L17
DS: 50S ribosomal protein L18
DT: 50S ribosomal protein L19
DU: 50S ribosomal protein L20
DV: 50S ribosomal protein L21
DW: 50S ribosomal protein L22
DX: 50S ribosomal protein L23
DY: 50S ribosomal protein L24
DZ: 50S ribosomal protein L25
D0: 50S ribosomal protein L27
D1: 50S ribosomal protein L28
D2: 50S ribosomal protein L29
D3: 50S ribosomal protein L30
D5: 50S ribosomal protein L32
D6: 50S ribosomal protein L33
D7: 50S ribosomal protein L34
D8: 50S ribosomal protein L35
D4: 50S ribosomal protein L31
hetero molecules


Theoretical massNumber of molelcules
Total (without water)2,301,341859
Polymers2,281,74256
Non-polymers19,599803
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)211.240, 456.780, 618.710
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
12
22
13
23
14
24
15
25
16
26
17
27
18
28

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection details
111(chain BA or chain BB or chain BD or chain...
211(chain DA or chain DB or chain DD or chain...
112chain AA or segid AS* or segid AT*
212chain CA or segid BS* or segid BT*
113chain AY or chain AV
213chain CY or chain CV
114chain AZ
214chain CZ
115chain AX and not resid 1:124
215chain CX and not resid 1:124
116chain AX and resid 1:124
216chain CX and resid 1:124
117chain BA and resid 2093:2196
217chain DA and resid 2093:2196
118chain BA and resid 1051:1108
218chain DA and resid 1051:1108

NCS ensembles :
ID
1
2
3
4
5
6
7
8

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Components

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RNA chain , 5 types, 12 molecules AACAAZAYCZCYAVCVBADABBDB

#1: RNA chain 16S RRNA /


Mass: 494985.938 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: GenBank: 155076
#2: RNA chain
P AND E-SITE TRNA(FMET)


Mass: 24802.785 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli)
#3: RNA chain MRNA / Messenger RNA


Mass: 8862.456 Da / Num. of mol.: 2 / Source method: obtained synthetically
#25: RNA chain 23S RRNA / 23S ribosomal RNA


Mass: 941050.938 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27
#26: RNA chain 5S RRNA / 5S ribosomal RNA


Mass: 40152.945 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27

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30S ribosomal protein ... , 20 types, 40 molecules ABCBACCCADCDAECEAFCFAGCGAHCHAICIAJCJAKCKALCLAMCMANCNAOCOAPCP...

#4: Protein 30S ribosomal protein S2 /


Mass: 29317.703 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62662
#5: Protein 30S ribosomal protein S3 /


Mass: 26751.076 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62663
#6: Protein 30S ribosomal protein S4 /


Mass: 24373.447 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62664
#7: Protein 30S ribosomal protein S5 /


Mass: 17583.416 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62665
#8: Protein 30S ribosomal protein S6 /


Mass: 11988.753 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62666
#9: Protein 30S ribosomal protein S7 /


Mass: 18050.973 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62667
#10: Protein 30S ribosomal protein S8 /


Mass: 15868.570 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62668
#11: Protein 30S ribosomal protein S9 /


Mass: 14429.661 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62669
#12: Protein 30S ribosomal protein S10 /


Mass: 11954.968 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62653
#13: Protein 30S ribosomal protein S11 /


Mass: 13737.868 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62654
#14: Protein 30S ribosomal protein S12 /


Mass: 14821.621 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P61941
#15: Protein 30S ribosomal protein S13 /


Mass: 14338.861 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62655
#16: Protein 30S ribosomal protein S14 /


Mass: 7158.725 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62656
#17: Protein 30S ribosomal protein S15 /


Mass: 10578.407 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62657
#18: Protein 30S ribosomal protein S16 /


Mass: 10409.983 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62238
#19: Protein 30S ribosomal protein S17 /


Mass: 12324.670 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62658
#20: Protein 30S ribosomal protein S18 /


Mass: 10258.299 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62659
#21: Protein 30S ribosomal protein S19 /


Mass: 10605.464 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62660
#22: Protein 30S ribosomal protein S20 /


Mass: 11722.116 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62661
#23: Protein/peptide 30S ribosomal protein Thx / Ribosome


Mass: 3350.030 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62613

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Protein , 1 types, 2 molecules AXCX

#24: Protein Bacterial peptide chain release factor 2 (RF-2) / RF2


Mass: 42793.469 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72GJ6

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50S ribosomal protein ... , 29 types, 58 molecules BDDDBEDEBFDFBGDGBHDHBIDIBKDKBNDNBODOBPDPBQDQBRDRBSDSBTDTBUDU...

#27: Protein 50S ribosomal protein L2 /


Mass: 30532.551 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72I07
#28: Protein 50S ribosomal protein L3 /


Mass: 22450.213 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72I04
#29: Protein 50S ribosomal protein L4 /


Mass: 23303.980 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72I05
#30: Protein 50S ribosomal protein L5 /


Mass: 21075.623 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72I16
#31: Protein 50S ribosomal protein L6 /


Mass: 19568.926 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72I19
#32: Protein 50S ribosomal protein L9 /


Mass: 16436.205 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72GV5
#33: Protein 50S ribosomal protein L11 /


Mass: 15526.111 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P36238
#34: Protein 50S ribosomal protein L13 /


Mass: 18534.008 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72IN1
#35: Protein 50S ribosomal protein L14 /


Mass: 13309.586 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72I14, UniProt: P60558*PLUS
#36: Protein 50S ribosomal protein L15 /


Mass: 16319.142 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72I23
#37: Protein 50S ribosomal protein L16 /


Mass: 15977.909 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72I11
#38: Protein 50S ribosomal protein L17 /


Mass: 13750.148 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72I33
#39: Protein 50S ribosomal protein L18 /


Mass: 12639.845 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72I20
#40: Protein 50S ribosomal protein L19 /


Mass: 17217.867 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72JU9
#41: Protein 50S ribosomal protein L20 /


Mass: 13779.275 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72L76
#42: Protein 50S ribosomal protein L21 /


Mass: 11069.153 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72HR2
#43: Protein 50S ribosomal protein L22 /


Mass: 12808.055 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72I09
#44: Protein 50S ribosomal protein L23 /


Mass: 10759.808 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72I06
#45: Protein 50S ribosomal protein L24 /


Mass: 12085.611 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72I15, UniProt: Q56435*PLUS
#46: Protein 50S ribosomal protein L25 / / TL5 / GENERAL STRESS PROTEIN CTC


Mass: 23238.572 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72IA7
#47: Protein 50S ribosomal protein L27 /


Mass: 9501.061 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72HR3
#48: Protein 50S ribosomal protein L28 /


Mass: 11032.174 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72G84
#49: Protein 50S ribosomal protein L29 /


Mass: 8670.258 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72I12
#50: Protein 50S ribosomal protein L30 /


Mass: 6799.126 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72I22
#51: Protein 50S ribosomal protein L31 /


Mass: 11274.987 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72JR0
#52: Protein 50S ribosomal protein L32 /


Mass: 6734.104 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P62652
#53: Protein 50S ribosomal protein L33 /


Mass: 6632.896 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72GW3
#54: Protein/peptide 50S ribosomal protein L34 /


Mass: 6132.449 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: P80340
#55: Protein 50S ribosomal protein L35 /


Mass: 7506.178 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB27 / References: UniProt: Q72L77

-
Non-polymers , 2 types, 2392 molecules

#56: Chemical...
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2388 / Source method: obtained synthetically / Formula: Mg
#57: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn

-
Details

Sequence detailsE.COLI NUMBERING IS USED FOR 5S, 16S AND 23S RRNA. P- AND E-TRNA (TRNA FMET) HAVE NUMBERING ...E.COLI NUMBERING IS USED FOR 5S, 16S AND 23S RRNA. P- AND E-TRNA (TRNA FMET) HAVE NUMBERING ACCORDING TO THE CANONICAL YEAST TRNA PHE. RF2 AND RIBOSOMAL PROTEINS HAVE NUMBERING BASED ON THE PREDICTED SEQUENCE POSITION OF THE START METHIONINE (POSITION 1).

-
Experimental details

-
Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

-
Sample preparation

CrystalDensity Matthews: 3.45 Å3/Da / Density % sol: 64 %
Crystal growTemperature: 296 K / Method: vapor diffusion, hanging drop / pH: 7
Details: 100 MM TRIS-OAC, 200 MM KSCN, 3.5-4.5 % (W/V) PEG20K, 4-9 % PEG200, DEOXY BIGCHAP, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Components of the solutions
IDNameCrystal-IDSol-ID
1TRIS-OAC11
2KSCN11
3PEG20K11
4PEG20011
5DEOXY BIGCHAP11
6TRIS-OAC12
7KSCN12
8PEG20K12
9PEG20012
10DEOXY BIGCHAP12

-
Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 0.9537
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Apr 1, 2008
Details: SI(111) DOUBLE CRYSTAL MONOCHROMATOR. ADJUSTABLE FOCUSING MIRRORS IN K-B GEOMETRY
RadiationMonochromator: DOUBLE CRYSTAL CRYO-COOLED SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9537 Å / Relative weight: 1
ReflectionResolution: 3→49.951 Å / Num. obs: 1148216 / % possible obs: 97.9 % / Redundancy: 16.8 % / Net I/σ(I): 8.8
Reflection shellResolution: 3→3.11 Å / Redundancy: 8.4 % / Mean I/σ(I) obs: 2.4 / % possible all: 89.9

-
Processing

Software
NameVersionClassification
PHENIX(phenix.refine)refinement
CNS1.2refinement
XDSdata reduction
XDSdata scaling
CNS1.2phasing
RefinementStarting model: PDB ENTRIES 3D5A, 3D5B, 3D5C, 3D5D

3d5a
PDB Unreleased entry

3d5b
PDB Unreleased entry

3d5c
PDB Unreleased entry

3d5d
PDB Unreleased entry


Resolution: 3→49.951 Å / SU ML: 0.72 / σ(F): 1.99 / Stereochemistry target values: ML
Details: REFINEMENT WAS PERFORMED IN CNS v1.2 AND IN PHENIX. STATISTICS AS CALCULATED BY PHENIX.
RfactorNum. reflection% reflection
Rfree0.3164 10481 0.91 %
Rwork0.2803 --
obs0.2806 1148216 97.34 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 26.922 Å2 / ksol: 0.184 e/Å3
Refinement stepCycle: LAST / Resolution: 3→49.951 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms21920 35826 528 0 58274
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDTypeRms dev position (Å)
11AA87040X-RAY DIFFRACTIONPOSITIONAL
12AB87040X-RAY DIFFRACTIONPOSITIONAL0.031
21AA51387X-RAY DIFFRACTIONPOSITIONAL
22AB51387X-RAY DIFFRACTIONPOSITIONAL0.023
31AA1854X-RAY DIFFRACTIONPOSITIONAL
32AB1854X-RAY DIFFRACTIONPOSITIONAL0.023
41AA1640X-RAY DIFFRACTIONPOSITIONAL
42AB1640X-RAY DIFFRACTIONPOSITIONAL0.008
51AA1994X-RAY DIFFRACTIONPOSITIONAL
52AB1994X-RAY DIFFRACTIONPOSITIONAL0.017
61AA882X-RAY DIFFRACTIONPOSITIONAL
62AB882X-RAY DIFFRACTIONPOSITIONAL0.009
71AA2239X-RAY DIFFRACTIONPOSITIONAL
72AB2239X-RAY DIFFRACTIONPOSITIONAL0.015
81AA1241X-RAY DIFFRACTIONPOSITIONAL
82AB1241X-RAY DIFFRACTIONPOSITIONAL0.015
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3-3.03410.45293130.440232998X-RAY DIFFRACTION85
3.0341-3.06980.4193190.435234215X-RAY DIFFRACTION88
3.0698-3.10720.45863750.435434939X-RAY DIFFRACTION90
3.1072-3.14650.45463700.427735610X-RAY DIFFRACTION92
3.1465-3.18790.43313350.425436405X-RAY DIFFRACTION94
3.1879-3.23160.48012200.421936768X-RAY DIFFRACTION95
3.2316-3.27780.42893670.406236859X-RAY DIFFRACTION95
3.2778-3.32670.41853690.405137063X-RAY DIFFRACTION96
3.3267-3.37860.4363680.389437352X-RAY DIFFRACTION96
3.3786-3.4340.41893320.385137578X-RAY DIFFRACTION97
3.434-3.49320.41771060.380638045X-RAY DIFFRACTION98
3.4932-3.55670.40784110.369337989X-RAY DIFFRACTION98
3.5567-3.62510.41064080.347538304X-RAY DIFFRACTION99
3.6251-3.69910.36211860.337138693X-RAY DIFFRACTION99
3.6991-3.77950.34943310.323438799X-RAY DIFFRACTION100
3.7795-3.86740.35744110.307538626X-RAY DIFFRACTION100
3.8674-3.96410.34612170.292938909X-RAY DIFFRACTION100
3.9641-4.07120.32463750.268738781X-RAY DIFFRACTION100
4.0712-4.19090.30543870.251338721X-RAY DIFFRACTION100
4.1909-4.32610.28424170.235238861X-RAY DIFFRACTION100
4.3261-4.48060.2693790.221538862X-RAY DIFFRACTION100
4.4806-4.65990.25224010.208838881X-RAY DIFFRACTION100
4.6599-4.87180.25393710.196738892X-RAY DIFFRACTION100
4.8718-5.12840.24383980.181639013X-RAY DIFFRACTION100
5.1284-5.44940.22444010.16739020X-RAY DIFFRACTION100
5.4494-5.86950.23113760.161839149X-RAY DIFFRACTION100
5.8695-6.45910.21864080.162239135X-RAY DIFFRACTION100
6.4591-7.39120.21273680.165839340X-RAY DIFFRACTION100
7.3912-9.30230.22013700.185539527X-RAY DIFFRACTION100
9.3023-49.95820.27673920.255540401X-RAY DIFFRACTION100
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
10.1861-0.11930.00910.43230.07740.1410.0481-0.03090.08280.15310.05140.1148-0.0137-0.00610.0085-0.06280.0121-0.1570.10410.0329-0.2903-18.7053136.4885167.2092
20.1244-0.03050.0670.676-0.15410.31780.01940.01480.0168-0.14810.10050.16740.0224-0.01380.4147-0.51580.0665-0.2575-0.02450.0129-0.3982-71.8307-57.26320.72
30.3677-0.15890.03340.1637-0.14910.26060.15040.0885-0.2297-0.3359-0.13460.44450.0585-0.234900.79250.1171-0.60930.6183-0.19981.1681-95.2572102.499567.6886
40.2-0.246-0.11220.16290.02230.24720.04950.0877-0.1334-0.222-0.02110.5833-0.3137-0.302600.73290.3892-0.39610.65970.09291.3514-147.102544.769-7.7089
50.19030.0162-0.07040.42450.1690.22490.02870.0534-0.0745-0.1682-0.0042-0.03070.03070.0434-00.30930.0476-0.14570.2389-0.01110.0901-13.063469.622895.1276
60.2142-0.08010.08690.5301-0.13720.2392-0.01490.09720.1063-0.3291-0.0546-0.0435-0.12420.093400.532-0.0827-0.17210.24610.15690.345-66.467816.8318-43.8649
70.0137-0.07350.0818-0.0685-0.0662-0.01870.04020.42980.1567-0.48520.34820.6758-0.2562-0.62190.00011.64830.2881-0.32891.62930.43311.4489-50.683194.211888.5494
80.0174-0.0781-0.0572-0.01030.0763-0.0537-0.0099-0.15020.39130.3458-0.260.6476-0.1556-0.4962-0.00011.60610.36170.20751.4826-0.46281.9397-101.017820.631281.323
90.02980.010.0222-0.0002-0.00190.01090.0584-0.1384-0.1173-0.0667-0.0450.05440.0106-0.1134-01.1685-0.40060.06421.8973-0.21611.8768-95.501566.3137164.1222
100.0716-0.03320.00750.0309-0.00120.02130.1508-0.03-0.0847-0.0635-0.02040.0797-0.09150.0443-01.90620.3297-0.10871.94190.03272.8444-150.3278-50.3791-48.511
110.0357-0.04330.01310.04890.00670.05640.009-0.0599-0.3602-0.1005-0.00750.05780.2204-0.020300.77290.0331-0.26850.7813-0.07871.0269-66.430290.9554120.2743
120.08760.0435-0.02580.0484-0.03160.0517-0.07010.14180.0166-0.1626-0.02020.0323-0.18840.0158-01.2090.1358-0.31550.9770.21531.5454-119.7495-7.8783-21.9081
130.05330.0066-0.06590.0644-0.00390.03930.07340.1994-0.0077-0.058-0.10040.0712-0.0083-0.22901.6475-0.1141-0.11581.98170.04651.8017-88.663463.0452123.7586
140.06380.0671-0.01030.049-0.02930.07910.03160.0043-0.0362-0.03910.0472-0.07110.09420.034402.22840.1471-0.08672.1189-0.06652.5313-142.7015-9.8299-49.482
150.01060.04090.09330.07880.19870.0666-0.03060.00910.0320.07290.0110.38740.0868-0.114200.3743-0.01030.18080.68720.14241.4655-115.2086144.3468166.3565
160.0047-0.0270.07590.0089-0.04770.06510.02310.1992-0.1159-0.29780.04410.19120.1133-0.040302.0332-0.275-0.23691.8106-0.07471.9047-65.744161.0225104.672
17-0.00480.00150.0077-0.00080.0024-0.0110.0088-0.03880.039-0.00880.0377-0.0195-0.0096-0.0389-0.00010.50040.1259-0.2190.67070.04770.6735-58.658895.701186.0149
180.0460.04070.03750.0445-0.11040.04970.0008-0.1199-0.1283-0.0742-0.07260.2266-0.0549-0.0542-00.3750.1137-0.18410.5865-0.06910.838-69.5446125.4477122.6163
190.115-0.04230.11950.0831-0.12610.05480.046-0.13790.1835-0.06010.39320.51820.1457-0.4224-00.2562-0.0592-0.04671.12230.78622.1906-168.1037-54.513430.6445
200.09240.06520.03510.10920.0623-0.0076-0.05820.07440.20090.01170.11230.1343-0.26-0.04220.00012.27730.1673-0.21622.00380.18692.4109-117.05445.477548.773
21-0.00650.00340.0086-0.00990.0024-0.0033-0.0687-0.1481-0.0298-0.0940.0203-0.0153-0.06580.02710.00010.491-0.1062-0.11510.58840.07860.8377-111.048626.1007-16.1072
220.0322-0.05970.0261-0.0023-0.0202-0.0626-0.2190.0659-0.1157-0.18750.12830.2051-0.1008-0.144600.39780.1104-0.1130.50050.19031.356-121.9076-11.349612.5689
230.0563-0.1210.03270.0852-0.06430.03130.0660.03580.14460.0298-0.0184-0.0385-0.041-0.02210.00090.3292-0.0736-0.07080.35720.03630.17451.4974145.6999114.031
240.02310.0269-0.04460.0171-0.0186-0.0086-0.09590.0333-0.09480.050.10070.0930.07060.08310.00010.52360.0756-0.07530.45240.03150.1514-13.346674.0488193.6856
250.0660.04250.03280.0401-0.05550.0373-0.05510.05630.08280.0870.0028-0.0533-0.1626-0.006500.69780.1288-0.11350.3909-0.15020.3054-22.8452186.0363206.0259
260.0226-0.0194-0.00460.0620.02860.03320.05140.078-0.0387-0.0211-0.09010.21410.0080.0809-00.43330.0894-0.23550.9226-0.03161.704-121.2512145.1226125.3939
270.04630.0230.00850.0417-0.03520.0275-0.0857-0.16630.08350.12540.00780.08490.0084-0.1172-01.2081-0.03930.22691.07720.36821.4194-67.308557.6634195.3373
280.0275-0.02030.02930.05440.06180.0540.03170.13050.0958-0.0389-0.0742-0.04490.11920.0568-0.00010.8246-0.01480.12040.3789-0.00140.71643.0996222.472100.7959
290.07210.06150.0310.0528-0.02190.06970.0028-0.0443-0.04550.0384-0.0288-0.00550.0157-0.1182-01.7338-0.14340.16172.27860.17362.2809-105.119359.3226149.1045
300.01990.0045-0.01870.0055-0.00080.0183-0.10320.0783-0.15740.06590.1893-0.06280.1132-0.0449-00.80010.11590.19680.58540.17350.4306-45.670594.4188216.5643
310.02980.0126-0.02190.0136-0.01030.07110.2605-0.0322-0.02530.04550.1623-0.05720.055-0.02750.00470.367-0.0004-0.24170.2166-0.07610.4088-18.032367.8405150.2146
320.0143-0.0114-0.03160.00940.05550.0384-0.0055-0.08080.0968-0.0132-0.14860.1048-0.23460.0756-0.00490.46740.15020.06470.5125-0.06680.3135-50.2879187.9347180.6358
330.0269-0.03140.03290.0326-0.01090.00570.11450.090.00290.0483-0.06280.11490.06750.103-00.1916-0.09980.05440.3640.20630.805-83.8622108.3436165.4232
340.04550.00710.00810.0447-0.01490.025-0.1027-0.02550.0561-0.07210.07120.0086-0.023-0.06470.00040.4560.0793-0.20070.3861-0.01210.079426.084590.6495186.9731
350.01150.0042-0.01520.0123-0.00990.01260.09560.02890.0202-0.00930.0918-0.07130.09040.06140.00010.37690.09950.22840.86290.19041.112-119.0361172.4452160.3543
360.01560.02490.01110.01580.02340.0223-0.07610.03390.0301-0.15970.0275-0.18020.08780.180700.58530.2022-0.10720.41740.03160.39057.262958.0841162.8561
37-0.0017-0.0447-0.07440.05210.04290.0133-0.03840.0347-0.0815-0.0063-0.05510.19690.05630.0561-00.70660.0950.26270.4283-0.04480.4399-45.3835125.8101220.6259
38-0.00240.03590.00110.02430.0320.0102-0.06790.10730.1549-0.038-0.0456-0.0675-0.06350.056200.79-0.13050.21430.7749-0.1130.3446-50.0103135.7477233.807
390.01250.05950.00870.0252-0.0140.0001-0.16670.0174-0.0654-0.02280.00990.1841-0.019-0.09460.00010.48250.2026-0.1680.3104-0.03310.31918.2883122.7669209.2996
400.0080.01910.02680.02470.03250.02780.0970.01140.0559-0.03160.0277-0.0835-0.031-0.0329-00.2772-0.1488-0.25760.4790.0570.92943.1462153.8439173.2216
410.060.0310.02430.0164-0.00230.0483-0.0760.1161-0.16150.06070.0363-0.0259-0.04040.070800.98230.0497-0.2930.8355-0.240.843822.468174.0231216.9048
420.06890.00220.03760.0245-0.01080.0450.010.1196-0.0559-0.0292-0.02040.1122-0.0052-0.032100.5841-0.15370.24260.82970.14871.4591-109.5229108.0169175.4088
430.0209-0.00960.00910.0254-0.01730.01720.1156-0.0096-0.0614-0.0078-0.02120.0557-0.05660.019800.44010.10420.27930.65210.00920.8492-89.2007157.0122171.1221
440.0844-0.02040.03110.0965-0.01080.0360.0914-0.1321-0.0787-0.18090.01130.0818-0.1031-0.1171-0.0250.4307-0.1037-0.13720.25520.20140.1444-9.2807183.6909134.0084
450.0068-0.00320.0260.0037-0.0046-0.00030.03860.0223-0.0105-0.0078-0.0474-0.0378-0.00710.013-0.00010.3483-0.019-0.210.7346-0.4910.587544.3692174.9029183.6748
460.0089-0.00340.01120.0093-0.00910.00930.0445-0.0357-0.0297-0.01410.04590.02120.0440.004700.75240.05330.29970.67130.18020.8084-76.8574139.956207.6305
470.02160.0075-0.03230.03960.02290.0480.1130.07850.01490.07760.139-0.070.0782-0.0272-00.68530.178-0.10670.5280.16220.50524.4345108.0261204.1229
480.01690.00120.00320.008-0.00250.0074-0.0040.01110.00720.0168-0.01-0.0068-0.0069-0.0115-01.17470.0463-0.07121.263-0.09551.326-78.4848177.6803140.0584
490.0223-0.0030.00510.01540.0070.00180.01450.0118-0.0069-0.03950.02250.02960.06740.0773-00.44610.1253-0.06860.4703-0.18950.42678.253154.1001162.4106
500.0091-0.0033-0.0010.0122-00.0026-0.0580.0755-0.01170.059-0.11180.05390.0068-0.085700.37060.0343-0.06540.5844-0.02150.5352-59.1702174.1873166.671
510.01890.00350.01420.07890.01880.0829-0.00850.12680.271-0.2089-0.10770.1344-0.134-0.02601.54730.2496-0.26110.9188-0.07960.5457-36.912196.725225.3298
520.0099-0.01390.00570.04510.0338-0.01530.0277-0.0258-0.0506-0.0832-0.09710.03610.1728-0.082901.12170.1435-0.54610.7462-0.19031.2256-87.018175.79152.5984
530.05520.02010.03280.0135-0.00010.06660.0820.0268-0.12260.1171-0.03510.0007-0.1086-0.155900.66710.0469-0.19260.4475-0.15960.4944-41.275435.040566.5138
540.02130.01440.02490.0429-0.00640.031-0.0847-0.14940.201-0.184-0.18090.0959-0.0295-0.1920.00010.89780.1623-0.57090.6265-0.14850.7474-35.393971.235254.8305
550.02130.0224-0.01190.0058-0.01040.00890.13540.0944-0.06830.02250.02260.0255-0.06160.027700.7892-0.05320.25060.65770.03820.9264.2512151.064271.4555
560.01580.0236-0.00780.0560.00210.0570.08630.0375-0.03460.00280.0442-0.05760.0370.008501.15050.3162-0.5090.68530.00711.0062-81.7562144.27865.7504
570.0003-0.0075-0.0160.03110.02530.0260.02750.0009-0.0990.1495-0.07840.06260.0774-0.0405-01.1443-0.020.13020.5161-0.02650.5027-3.800678.042451.6391
580.02280.00220.00770.04930.03810.02280.08940.05340.074-0.09520.0995-0.03020.01510.052701.04580.4275-0.58891.0002-0.07311.2703-100.5052129.009445.1438
590.0128-0.0156-0.01060.06550.00350.0068-0.04030.0740.00680.0426-0.05530.0236-0.0329-0.067100.98620.2507-0.57580.9443-0.20051.1696-109.000394.088342.349
600.0118-0.0008-0.00310.00730.01720.02690.11960.0261-0.05170.1213-0.0014-0.0070.0283-0.0713-00.7340.0296-0.28160.60540.17060.5884-40.2995154.959375.6528
610.03230.0145-0.01020.03420.0241-0.00120.1307-0.05960.10720.0080.0225-0.03710.01840.048700.46230.1527-0.15510.3563-0.05810.6719-40.987766.8249101.5199
620.04410.05270.01640.02710.02150.00710.0763-0.0108-0.00410.0018-0.0031-0.051-0.1035-0.089-00.8277-0.0315-0.28521.0831-0.2471.3131-117.472127.098696.8572
630.0056-0.0184-0.00560.0122-0.00170.00410.0031-0.06310.00990.0043-0.11070.0256-0.0228-0.1183-00.7830.1324-0.27620.830.04920.9423-101.516286.500268.1725
640.01330.0094-0.00330.0268-0.00770.0207-0.0784-0.01620.0378-0.0451-0.1160.04550.008-0.011200.6363-0.21550.22170.5320.14170.633717.5292111.306176.1623
650.016-0.0045-0.00350.0230.00290.0102-0.0350.0665-0.0888-0.042-0.05890.0617-0.0171-0.005300.68660.195-0.25530.4925-0.19460.84811.777126.458488.9993
660.01690.0141-0.00940.0039-0.00990.0063-0.1502-0.0481-0.03630.0119-0.0791-0.0824-0.00640.1249-00.6010.0326-0.01840.54760.00730.739217.976277.413589.7218
670.005-0.0014-0.00510.0096-0.01550.01320.03990.0205-0.0092-0.02260.05060.02880.0051-0.0307-0.00011.08470.20490.04440.72950.18330.6293-13.6851142.530759.3817
680.0106-0.00470.00410.009-0.00230.003-0.0491-0.03760.01570.0563-0.04170.00490.04370.0044-00.855-0.1622-0.12951.2385-0.00791.343-121.302792.957103.5554
690.00160.0046-0.00730.00730.00270.0094-0.0156-0.03940.0431-0.010.014-0.02730.03490.0946-00.56720.1468-0.11610.38930.0190.668632.497447.8479122.2592
700.0041-0.00170.00060.00250.00130.00160.0108-0.0091-0.0061-0.0032-0.03210.0066-0.00260.0123-00.90330.1534-0.10021.158-0.10251.2222-115.0014120.353375.7645
710.0606-0.0389-0.12120.1333-0.00840.1009-0.1124-0.07920.0255-0.02080.0830.0396-0.1744-0.121400.2276-0.0114-0.07980.2666-0.11440.3864-50.1963-4.955631.5072
720.01020.0324-0.01520.01950.00640.00930.00920.0122-0.1438-0.02270.0603-0.14480.0346-0.0205-00.7557-0.0442-0.190.3494-0.06510.5353-68.3611-81.4437-42.7788
730.04840.08640.04820.01880.08680.07850.027-0.1620.06550.0830.0885-0.00160.0510.0744-00.34620.0398-0.08340.5480.19160.3843-75.888-97.841568.8403
740.0385-0.02320.02590.0586-0.02180.04350.05340.049-0.07850.05150.14360.0569-0.0325-0.130400.63510.44750.3021.30770.51961.9719-173.1625-13.481833.0966
750.0504-0.00570.05430.03520.01040.0558-0.1084-0.0553-0.1116-0.0386-0.02930.076-0.1610.0012-00.9377-0.2986-0.27720.70920.14461.0411-122.6661-81.2359-58.0696
760.02830.0132-0.04350.0708-0.07810.04130.1305-0.10490.104-0.1770.04180.0186-0.01530.0326-00.8445-0.0628-0.0870.5375-0.04250.3669-46.47899.4012107.0496
770.0681-0.02840.03480.0668-0.0070.0270.06660.0569-0.0348-0.02130.05450.01340.05160.010802.37860.1410.18572.4757-0.11682.7217-159.3376-34.2486-53.8636
780.02840.03430.040.0224-0.00090.0092-0.0219-0.01050.0806-0.017-0.1243-0.05770.10250.12620.00010.8937-0.1757-0.37540.4748-0.0570.6104-100.8-104.3437-22.6076
790.00740.00220.01390.0146-0.0020.01320.0895-0.03570.06650.0338-0.1279-0.01550.01470.0085-00.71610.0267-0.2390.40460.06410.2901-72.1447-37.6746-47.2418
800.05680.01670.05720.16590.0095-0.010.0954-0.12080.21930.23550.0560.2753-0.0387-0.1227-0.02620.22190.04250.29480.34390.17450.5159-102.6715-71.920872.2762
810.0256-0.0151-0.03770.03310.03860.02950.1125-0.0974-0.0154-0.0942-0.0137-0.07290.01230.0053-00.3113-0.0963-0.43050.37070.18760.9328-137.4824-52.9154-5.9558
820.0218-0.00120.01750.02350.02060.0156-0.116-0.0848-0.0644-0.1243-0.04020.0927-0.02780.01230.00010.66910.19970.08230.47070.03230.2466-28.4556-76.2728-26.7693
830.01940.0162-0.00880.0235-0.00410.00680.0353-0.06190.01340.0254-0.04050.01910.0631-0.094300.8120.11720.38861.36250.25971.6654-171.2187-49.50359.024
840.0473-0.0045-0.0220.0332-0.00920.0295-0.08030.0950.0133-0.0167-0.0857-0.0574-0.0090.1376-01.0399-0.02830.09910.72380.01860.5471-47.3551-50.5069-57.9997
850.05620.0025-0.0460.0847-0.0740.10620.0955-0.07630.0487-0.10160.11060.1350.1593-0.05570.0110.6267-0.1388-0.37890.36590.24240.4045-99.9723-109.60398.5947
860.0306-0.02160.02990.0146-0.00190.00320.06090.0026-0.0165-0.0347-0.03920.02230.2154-0.064900.6879-0.3489-0.32380.3940.17680.7824-104.7076-123.047818.1238
870.12680.03550.02520.03980.0020.0437-0.20970.1436-0.1019-0.02440.0471-0.05310.06810.0476-0.00460.63080.1245-0.0020.2914-0.09680.1482-46.1211-99.40114.8509
880.0336-0.0278-0.0225-0.0049-0.00130.05080.0472-0.03960.0104-0.0144-0.1003-0.10.06470.16910.0090.04180.13330.05930.536-0.06470.6288-9.8008-65.350136.524
890.0276-0.01220.01480.0436-0.00370.0190.1140.03180.0143-0.0182-0.0195-0.144-0.04880.000900.75450.2217-0.13520.50260.04840.6973-31.0998-109.294355.4684
900.1189-0.00040.06440.0491-0.03060.04760.00030.134-0.07580.015-0.06570.0417-0.0888-0.138700.6491-0.2993-0.56071.20180.61352.0162-163.3743-62.2918-6.1159
910.0246-0.0319-0.00290.0163-0.02540.00890.07650.02850.02060.06880.0668-0.05290.0798-0.010100.33420.00260.19450.89790.50261.2603-141.9672-60.351342.5688
92-0.0601-0.0356-0.03320.1353-0.09210.07250.12050.068-0.04110.08510.090.0769-0.16350.01690.02310.53810.04250.01020.3234-0.18720.2166-60.6665-26.116168.9377
930.0372-0.01760.0097-0.0007-0.0125-0.00570.01170.0411-0.03360.02590.0362-0.02810.0012-0.00350.02510.03930.11530.01520.53440.38510.4346-8.4013-76.634257.1363
940.0087-0.00960.00310.0119-0.00210.00530.00420.0432-0.00670.0031-0.0231-0.0208-0.0350.012800.4655-0.1343-0.28790.5740.10530.838-130.8355-96.447123.8863
95-0.00640.01680.02770.0323-0.00180.0228-0.10430.00570.0213-0.0674-0.04430.0242-0.00210.0745-0.00050.6160.0225-0.0670.3024-0.2690.4755-50.1485-93.5754-9.602
960.0127-0.006-0.00260.0070.00430.00590.0613-0.0193-0.00960.01770.0054-0.03530.00630.001101.21960.23850.12831.44670.14861.3583-130.1041-30.351764.1647
970.01980.0001-0.00540.0094-0.00810.0143-0.01440.04550.0201-0.02130.05560.0219-0.038-0.0452-00.35720.02710.05610.28360.08890.3141-44.4162-53.760637.929
980.01640.0175-0.0020.0220.00230.01250-0.00870.00320.04270.00460.0294-0.0721-0.197200.26890.2080.12190.53170.13250.8849-111.4974-57.241359.2602
990.0407-0.0165-0.00130.08860.01210.1028-0.0516-0.16190.06910.00210.03540.0077-0.0985-0.1054-01.3816-0.0248-0.40510.52340.03911.3942-88.124886.1779-13.9207
1000.0141-0.0164-0.01260.02890.00540.0172-0.05030.07380.0303-0.0472-0.1020.2327-0.1281-0.001101.17480.2837-0.6390.81-0.03811.1675-139.353960.5335-34.1745
1010.04850.00950.01260.05110.01580.0099-0.12490.12840.0348-0.0891-0.05890.0918-0.03980.087501.4957-0.0382-0.31750.54540.31290.8473-95.113547.0431-76.6835
1020.0102-0.02360.01010.0349-0.02590.0187-0.0707-0.078-0.0041-0.0549-0.03570.0233-0.1323-0.121600.95680.1746-0.35640.64320.15790.8486-87.938857.4688-40.3407
1030.00830.0220.02270.01620.01530.0091-0.049-0.0151-0.0254-0.06730.0338-0.0121-0.0335-0.021400.60450.0271-0.25870.5572-0.09331.0028-46.309137.611237.7122
1040.00820.00970.00860.0530.03430.04070.06660.0466-0.08020.13730.09550.1151-0.05550.11680.00011.00250.5101-0.10490.9756-0.05891.1844-132.344645.137233.6876
1050.01530.0362-0.01480.0308-0.02040.01910.1226-0.0232-0.0073-0.08090.1398-0.050.0479-0.00901.1634-0.3758-0.37560.64190.23890.9842-56.10559.8497-34.3909
1060.07350.02220.03980.0307-0.02610.04720.1287-0.0161-0.1345-0.00210.0636-0.0471-0.0187-0.04020.00011.1030.6619-0.12521.18060.02161.4627-151.121166.563419.6314
1070.03950.0610.01180.03190.00740.0961-0.02250.0456-0.00390.01390.06720.00910.10680.0153-01.20560.475-0.47991.05530.18381.3614-160.579770.6153-14.919
1080.0231-0.00580.01580.03120.0040.00460.09060.02550.0442-0.04880.03130.0616-0.02620.120900.73960.309-0.27090.6456-0.26780.8381-90.797534.122342.8111
1090.01570.014-0.03290.0443-0.02730.0460.1059-0.07550.1228-0.1862-0.10550.0315-0.11980.0801-00.8486-0.0529-0.43890.3950.15480.6731-94.582411.0596-46.0135
1100.0251-0.01320.0210.00010.00730.0068-0.0292-0.09290.08640.11470.06420.0818-0.0598-0.072100.73830.2709-0.24681.06580.23771.7819-169.158915.267916.6335
1110.0056-0.00870.01070.0074-0.0019-0.00460.0103-0.0258-0.01930.05890.00940.0519-0.0473-0.0185-00.75040.3595-0.2430.80090.04150.992-153.837944.9078-23.521
1120.0141-0.00060.00790.00830.0020.00530.0168-0.0593-0.0303-0.05050.1901-0.0593-0.0447-0.0304-00.5849-0.2198-0.4630.52550.00880.8201-34.295833.8983-2.548
1130.0109-0.00580.00520.0058-0.01730.00840.0511-0.02260.007-0.04780.06690.0034-0.03170.030.00011.27890.02880.07871.02150.41860.8481-52.784124.0309-87.2482
1140.0089-0.0132-0.0186-0.0014-0.0193-0.0151-0.09920.04040.0174-0.0071-0.0706-0.14240.02190.0978-00.83-0.16590.17570.97250.22450.9779-35.109421.406-36.8474
1150.00770.01170.00040.00880.00770.00250.07850.0060.0428-0.0110.07090.0209-0.0954-0.0475-00.6601-0.071-0.28240.5789-0.04230.9459-64.248350.275930.0922
1160.0115-0.00640.00390.01750.00050.0129-0.0270.0407-0.02650.017-0.0115-0.00790.0014-0.004801.15860.3427-0.35551.26990.10621.727-174.12299.7197-17.5695
1170.00310.00980.00780.0179-0.03380.00530.04730.00810.0219-0.08980.0838-0.0444-0.03960.0233-01.1932-0.04490.11930.85930.20880.9202-22.1101-10.4546-67.8263
1180.00240.00150.00020.00370.00140.00380.002-0.0034-0.0034-0.00370.02360.01130.0034-0.029301.00170.2276-0.17041.18480.03961.3088-166.469136.510710.4734
1190.0027-0.00370.00040.00130.00020.0017-0.0026-0.01130.0184-0.0069-0.00020.0053-0.01390.0048-01.25960.0727-0.12961.14130.01791.2316-131.3668151.685110.3825
1200.0025-00.00020.00180.00010.0022-0.0018-0.0217-0.00510.0241-0.0013-0.00190.00830.0068-01.35670.06390.03881.33160.13191.4432-182.78471.49740.4328
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1((chain BA) and not (resid 2093:2196 or resid 1051:1108))
2X-RAY DIFFRACTION2((chain DA) and not (resid 2093:2196 or resid 1051:1108))
3X-RAY DIFFRACTION3((chain AA and resid 925:1391))
4X-RAY DIFFRACTION4((chain CA and resid 925:1391))
5X-RAY DIFFRACTION5(chain AA and not resid 925:1391)
6X-RAY DIFFRACTION6(chain CA and not resid 925:1391)
7X-RAY DIFFRACTION7(chain BA and resid 2093:2196)
8X-RAY DIFFRACTION8(chain DA and resid 2093:2196)
9X-RAY DIFFRACTION9(chain BA and resid 1051:1108)
10X-RAY DIFFRACTION10(chain DA and resid 1051:1108)
11X-RAY DIFFRACTION11(chain AX and not resid 1:124)
12X-RAY DIFFRACTION12(chain CX and not resid 1:124)
13X-RAY DIFFRACTION13(chain AX and resid 1:124)
14X-RAY DIFFRACTION14(chain CX and resid 1:124)
15X-RAY DIFFRACTION15(chain BB)
16X-RAY DIFFRACTION16(chain AZ)
17X-RAY DIFFRACTION17(chain AV)
18X-RAY DIFFRACTION18(chain AY)
19X-RAY DIFFRACTION19(chain DB)
20X-RAY DIFFRACTION20(chain CZ)
21X-RAY DIFFRACTION21(chain CV)
22X-RAY DIFFRACTION22(chain CY)
23X-RAY DIFFRACTION23(chain BD)
24X-RAY DIFFRACTION24(chain BE)
25X-RAY DIFFRACTION25(chain BF)
26X-RAY DIFFRACTION26(chain BG)
27X-RAY DIFFRACTION27(chain BH)
28X-RAY DIFFRACTION28(chain BI)
29X-RAY DIFFRACTION29(chain BK)
30X-RAY DIFFRACTION30(chain BN)
31X-RAY DIFFRACTION31(chain BO)
32X-RAY DIFFRACTION32(chain BP)
33X-RAY DIFFRACTION33(chain BQ)
34X-RAY DIFFRACTION34(chain BR)
35X-RAY DIFFRACTION35(chain BS)
36X-RAY DIFFRACTION36(chain BT)
37X-RAY DIFFRACTION37(chain BU)
38X-RAY DIFFRACTION38(chain BV)
39X-RAY DIFFRACTION39(chain BW)
40X-RAY DIFFRACTION40(chain BX)
41X-RAY DIFFRACTION41(chain BY)
42X-RAY DIFFRACTION42(chain BZ)
43X-RAY DIFFRACTION43(chain B0)
44X-RAY DIFFRACTION44(chain B1)
45X-RAY DIFFRACTION45(chain B2)
46X-RAY DIFFRACTION46(chain B3)
47X-RAY DIFFRACTION47(chain B5)
48X-RAY DIFFRACTION48(chain B6)
49X-RAY DIFFRACTION49(chain B7)
50X-RAY DIFFRACTION50(chain B8)
51X-RAY DIFFRACTION51(chain AB)
52X-RAY DIFFRACTION52(chain AC)
53X-RAY DIFFRACTION53(chain AD)
54X-RAY DIFFRACTION54(chain AE)
55X-RAY DIFFRACTION55(chain AF)
56X-RAY DIFFRACTION56(chain AG)
57X-RAY DIFFRACTION57(chain AH)
58X-RAY DIFFRACTION58(chain AI)
59X-RAY DIFFRACTION59(chain AJ)
60X-RAY DIFFRACTION60(chain AK)
61X-RAY DIFFRACTION61(chain AL)
62X-RAY DIFFRACTION62(chain AM)
63X-RAY DIFFRACTION63(chain AN)
64X-RAY DIFFRACTION64(chain AO)
65X-RAY DIFFRACTION65(chain AP)
66X-RAY DIFFRACTION66(chain AQ)
67X-RAY DIFFRACTION67(chain AR)
68X-RAY DIFFRACTION68(chain AS)
69X-RAY DIFFRACTION69(chain AT)
70X-RAY DIFFRACTION70(chain AU)
71X-RAY DIFFRACTION71(chain DD)
72X-RAY DIFFRACTION72(chain DE)
73X-RAY DIFFRACTION73(chain DF)
74X-RAY DIFFRACTION74(chain DG)
75X-RAY DIFFRACTION75(chain DH)
76X-RAY DIFFRACTION76(chain DI)
77X-RAY DIFFRACTION77(chain DK)
78X-RAY DIFFRACTION78(chain DN)
79X-RAY DIFFRACTION79(chain DO)
80X-RAY DIFFRACTION80(chain DP)
81X-RAY DIFFRACTION81(chain DQ)
82X-RAY DIFFRACTION82(chain DR)
83X-RAY DIFFRACTION83(chain DS)
84X-RAY DIFFRACTION84(chain DT)
85X-RAY DIFFRACTION85(chain DU)
86X-RAY DIFFRACTION86(chain DV)
87X-RAY DIFFRACTION87(chain DW)
88X-RAY DIFFRACTION88(chain DX
89X-RAY DIFFRACTION89(chain DY)
90X-RAY DIFFRACTION90(chain DZ)
91X-RAY DIFFRACTION91(chain D0)
92X-RAY DIFFRACTION92(chain D1)
93X-RAY DIFFRACTION93(chain D2)
94X-RAY DIFFRACTION94(chain D3)
95X-RAY DIFFRACTION95(chain D5)
96X-RAY DIFFRACTION96(chain D6)
97X-RAY DIFFRACTION97(chain D7)
98X-RAY DIFFRACTION98(chain D8)
99X-RAY DIFFRACTION99(chain CB)
100X-RAY DIFFRACTION100(chain CC)
101X-RAY DIFFRACTION101(chain CD)
102X-RAY DIFFRACTION102(chain CE)
103X-RAY DIFFRACTION103(chain CF)
104X-RAY DIFFRACTION104(chain CG)
105X-RAY DIFFRACTION105(chain CH)
106X-RAY DIFFRACTION106(chain CI)
107X-RAY DIFFRACTION107(chain CJ)
108X-RAY DIFFRACTION108(chain CK)
109X-RAY DIFFRACTION109(chain CL)
110X-RAY DIFFRACTION110(chain CM)
111X-RAY DIFFRACTION111(chain CN)
112X-RAY DIFFRACTION112(chain CO)
113X-RAY DIFFRACTION113(chain CP)
114X-RAY DIFFRACTION114(chain CQ)
115X-RAY DIFFRACTION115(chain CR)
116X-RAY DIFFRACTION116(chain CS)
117X-RAY DIFFRACTION117(chain CT)
118X-RAY DIFFRACTION118(chain CU)
119X-RAY DIFFRACTION119(chain B4)
120X-RAY DIFFRACTION120(chain D4)

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