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- PDB-4v97: Crystal structure of the bacterial ribosome ram mutation G299A. -

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Basic information

Entry
Database: PDB / ID: 4v97
TitleCrystal structure of the bacterial ribosome ram mutation G299A.
Components
  • (30S ribosomal protein ...) x 20
  • (50S RIBOSOMAL PROTEIN ...) x 30
  • 16S rRNA
  • 23S rRNA23S ribosomal RNA
  • 5S rRNA5S ribosomal RNA
  • E-SITE TRNA PHE OR A-SITE tRNA Phe
  • P-SITE tRNA fMet
  • mRNAMessenger RNA
KeywordsRIBOSOME / Protein biosynthesis / ribosomes / RNA / tRNA / transfer / ribosomal ambiguity mutation / ram / 30S / 70S / 16S / ribosomal subunit
Function / homology
Function and homology information


large ribosomal subunit / regulation of translation / small ribosomal subunit / 5S rRNA binding / transferase activity / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / ribonucleoprotein complex ...large ribosomal subunit / regulation of translation / small ribosomal subunit / 5S rRNA binding / transferase activity / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / ribonucleoprotein complex / translation / mRNA binding / zinc ion binding / metal ion binding / cytoplasm
Similarity search - Function
Ribosomal protein L1, bacterial-type / 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 L1, conserved site ...Ribosomal protein L1, bacterial-type / 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 L1, conserved site / Ribosomal protein L1 / Ribosomal protein L1 signature. / Ribosomal protein L1, 3-layer alpha/beta-sandwich / Ribosomal protein L1-like / Ribosomal protein L1/ribosomal biogenesis protein / Ribosomal protein L1p/L10e family / Ribosomal protein L31 type A / Ribosomal protein L31 signature. / Ribosomal protein L31 / Ribosomal protein L31 superfamily / Ribosomal protein L31 / 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 L25p family / Ribosomal protein L25 / Ribosomal protein S14/S29 / Ribosomal protein L36 signature. / 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 L36 / Ribosomal protein L36 superfamily / Ribosomal protein L36 / Ribosomal protein L9/RNase H1, N-terminal / Ribosomal protein L20 signature. / Ribosomal protein S3, bacterial-type / Ribosomal protein S6, conserved site / Ribosomal protein S6 signature. / Ribosomal protein L27, conserved site / Ribosomal protein L27 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 S4, bacterial-type / Ribosomal protein L14P, 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 / Ribosomal protein S16 / Ribosomal protein S16 / Ribosomal protein S16 domain superfamily / Ribosomal protein L20 / Ribosomal protein L20, C-terminal / Ribosomal protein L21 / Ribosomal protein L27
Similarity search - Domain/homology
PAROMOMYCIN / : / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 ...PAROMOMYCIN / : / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Large ribosomal subunit protein uL6 / Small ribosomal subunit protein uS7 / Large ribosomal subunit protein bL33 / Large ribosomal subunit protein uL2 / Large ribosomal subunit protein uL13 / Large ribosomal subunit protein uL16 / Large ribosomal subunit protein bL19 / Large ribosomal subunit protein bL20 / Large ribosomal subunit protein bL21 / Large ribosomal subunit protein bL27 / Large ribosomal subunit protein bL28 / Large ribosomal subunit protein bL32 / Large ribosomal subunit protein bL34 / Small ribosomal subunit protein uS2 / Small ribosomal subunit protein uS3 / Small ribosomal subunit protein uS4 / Small ribosomal subunit protein uS9 / Small ribosomal subunit protein uS11 / Small ribosomal subunit protein uS13 / Small ribosomal subunit protein bS20 / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS10 / Large ribosomal subunit protein uL3 / Large ribosomal subunit protein uL4 / Large ribosomal subunit protein uL23 / Small ribosomal subunit protein uS19 / Large ribosomal subunit protein uL22 / Large ribosomal subunit protein uL29 / 30S ribosomal protein S17 / Large ribosomal subunit protein uL14 / Large ribosomal subunit protein uL24 / Large ribosomal subunit protein uL5 / 30S ribosomal protein S14 type Z / 30S ribosomal protein S8 / 50S ribosomal protein L6 / Large ribosomal subunit protein uL18 / Small ribosomal subunit protein uS5 / Large ribosomal subunit protein uL30 / Large ribosomal subunit protein uL15 / Large ribosomal subunit protein bL36 / Large ribosomal subunit protein bL25 / Small ribosomal subunit protein bTHX / Small ribosomal subunit protein uS15 / Large ribosomal subunit protein bL31 / Small ribosomal subunit protein bS16 / Large ribosomal subunit protein bL35 / Large ribosomal subunit protein uL1 / Small ribosomal subunit protein bS6 / Small ribosomal subunit protein bS18 / Large ribosomal subunit protein bL9 / Large ribosomal subunit protein bL17
Similarity search - Component
Biological speciesThermus thermophilus (bacteria)
Escherichia coli (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.516 Å
AuthorsFagan, C.E. / Dunkle, J.A. / Maehigashi, T. / Dunham, C.M.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2013
Title: Reorganization of an intersubunit bridge induced by disparate 16S ribosomal ambiguity mutations mimics an EF-Tu-bound state.
Authors: Fagan, C.E. / Dunkle, J.A. / Maehigashi, T. / Dang, M.N. / Devaraj, A. / Miles, S.J. / Qin, D. / Fredrick, K. / Dunham, C.M.
History
DepositionApr 6, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 9, 2014Provider: repository / Type: Initial release
SupersessionDec 10, 2014ID: 4EJ9, 4EJA, 4EJB, 4EJC
Revision 1.1Dec 10, 2014Group: Other
Revision 1.2Sep 20, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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_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.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
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 type Z
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
AV: P-SITE tRNA fMet
AW: E-SITE TRNA PHE OR A-SITE tRNA Phe
AX: mRNA
AY: E-SITE TRNA PHE OR A-SITE tRNA Phe
BA: 23S rRNA
BB: 5S rRNA
BC: 50S RIBOSOMAL PROTEIN L1
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
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
B9: 50S RIBOSOMAL PROTEIN L36
CA: 16S rRNA
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 type Z
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
CV: P-SITE tRNA fMet
CW: E-SITE TRNA PHE OR A-SITE tRNA Phe
CX: mRNA
CY: E-SITE TRNA PHE OR A-SITE tRNA Phe
DA: 23S rRNA
DB: 5S rRNA
DC: 50S RIBOSOMAL PROTEIN L1
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
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
D4: 50S RIBOSOMAL PROTEIN L31
D5: 50S RIBOSOMAL PROTEIN L32
D6: 50S RIBOSOMAL PROTEIN L33
D7: 50S RIBOSOMAL PROTEIN L34
D8: 50S RIBOSOMAL PROTEIN L35
D9: 50S RIBOSOMAL PROTEIN L36
hetero molecules


Theoretical massNumber of molelcules
Total (without water)4,576,9331153
Polymers4,550,333114
Non-polymers26,6001039
Water0
1
AA: 16S rRNA
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 type Z
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
AV: P-SITE tRNA fMet
AW: E-SITE TRNA PHE OR A-SITE tRNA Phe
AX: mRNA
AY: E-SITE TRNA PHE OR A-SITE tRNA Phe
BA: 23S rRNA
BB: 5S rRNA
BC: 50S RIBOSOMAL PROTEIN L1
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
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
B9: 50S RIBOSOMAL PROTEIN L36
hetero molecules


Theoretical massNumber of molelcules
Total (without water)2,287,020517
Polymers2,275,16657
Non-polymers11,854460
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
CA: 16S rRNA
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 type Z
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
CV: P-SITE tRNA fMet
CW: E-SITE TRNA PHE OR A-SITE tRNA Phe
CX: mRNA
CY: E-SITE TRNA PHE OR A-SITE tRNA Phe
DA: 23S rRNA
DB: 5S rRNA
DC: 50S RIBOSOMAL PROTEIN L1
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
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
D4: 50S RIBOSOMAL PROTEIN L31
D5: 50S RIBOSOMAL PROTEIN L32
D6: 50S RIBOSOMAL PROTEIN L33
D7: 50S RIBOSOMAL PROTEIN L34
D8: 50S RIBOSOMAL PROTEIN L35
D9: 50S RIBOSOMAL PROTEIN L36
hetero molecules


Theoretical massNumber of molelcules
Total (without water)2,289,912636
Polymers2,275,16657
Non-polymers14,746579
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)210.459, 447.344, 622.298
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

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RNA chain , 6 types, 14 molecules AACAAVCVAWAYCWCYAXCXBADABBDB

#1: RNA chain 16S rRNA /


Mass: 493942.281 Da / Num. of mol.: 2 / Mutation: G299A / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: GenBank: AP008226.1
#22: RNA chain P-SITE tRNA fMet


Mass: 24802.785 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: GenBank: AP012306.1
#23: RNA chain
E-SITE TRNA PHE OR A-SITE tRNA Phe


Mass: 24485.539 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: GenBank: AP012306.1
#24: RNA chain mRNA / Messenger RNA


Mass: 7827.775 Da / Num. of mol.: 2 / Source method: obtained synthetically / Details: RNA oligonucleotide
#25: RNA chain 23S rRNA / 23S ribosomal RNA


Mass: 947895.375 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: GenBank: AP008226.1
#26: RNA chain 5S rRNA / 5S ribosomal RNA


Mass: 39494.535 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: GenBank: AP008226.1

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

#2: 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: HB8 / References: UniProt: P80371
#3: 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: HB8 / References: UniProt: P80372
#4: 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: HB8 / References: UniProt: P80373
#5: 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: HB8 / References: UniProt: Q5SHQ5
#6: Protein 30S ribosomal protein S6 / / TS9


Mass: 11988.753 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SLP8
#7: 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: HB8 / References: UniProt: P17291
#8: 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: HB8 / References: UniProt: Q5SHQ2, UniProt: A0A0M9AFS9*PLUS
#9: Protein 30S ribosomal protein S9 /


Mass: 14410.614 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80374
#10: 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: HB8 / References: UniProt: Q5SHN7
#11: 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: HB8 / References: UniProt: P80376
#12: Protein 30S ribosomal protein S12 /


Mass: 14637.384 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHN3
#13: 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: HB8 / References: UniProt: P80377
#14: Protein 30S ribosomal protein S14 type Z / Ribosome


Mass: 7158.725 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHQ1, UniProt: A0A0N0BLP2*PLUS
#15: 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: HB8 / References: UniProt: Q5SJ76
#16: 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: HB8 / References: UniProt: Q5SJH3
#17: Protein 30S ribosomal protein S17 /


Mass: 12325.655 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHP7, UniProt: A0A0N0BLS5*PLUS
#18: 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: HB8 / References: UniProt: Q5SLQ0
#19: 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: HB8 / References: UniProt: Q5SHP2
#20: Protein 30S ribosomal protein S20 /


Mass: 11736.143 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80380
#21: Protein/peptide 30S ribosomal protein Thx / Ribosome / S31


Mass: 3350.030 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SIH3

+
50S RIBOSOMAL PROTEIN ... , 30 types, 60 molecules BCDCBDDDBEDEBFDFBGDGBHDHBIDIBNDNBODOBPDPBQDQBRDRBSDSBTDTBUDU...

#27: Protein 50S RIBOSOMAL PROTEIN L1 /


Mass: 24872.721 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SLP7
#28: 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: HB8 / References: UniProt: P60405
#29: 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: HB8 / References: UniProt: Q5SHN8
#30: Protein 50S RIBOSOMAL PROTEIN L4 /


Mass: 23271.914 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHN9
#31: Protein 50S RIBOSOMAL PROTEIN L5 /


Mass: 21061.596 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHQ0
#32: 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: HB8 / References: UniProt: Q5SHQ3, UniProt: P0DOY8*PLUS
#33: Protein 50S RIBOSOMAL PROTEIN L9 /


Mass: 16422.180 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SLQ1
#34: Protein 50S RIBOSOMAL PROTEIN L13 /


Mass: 15927.903 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P60488
#35: Protein 50S RIBOSOMAL PROTEIN L14 /


Mass: 13323.612 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHP8
#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: HB8 / References: UniProt: Q5SHQ7
#37: Protein 50S RIBOSOMAL PROTEIN L16 /


Mass: 15993.909 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P60489
#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: HB8 / References: UniProt: Q9Z9H5
#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: HB8 / References: UniProt: Q5SHQ4
#40: Protein 50S RIBOSOMAL PROTEIN L19 /


Mass: 17188.830 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P60490
#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: HB8 / References: UniProt: P60491
#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: HB8 / References: UniProt: P60492
#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: HB8 / References: UniProt: Q5SHP3
#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: HB8 / References: UniProt: Q5SHP0
#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: HB8 / References: UniProt: Q5SHP9
#46: Protein 50S RIBOSOMAL PROTEIN L25 /


Mass: 23238.572 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHZ1
#47: Protein 50S RIBOSOMAL PROTEIN L27 /


Mass: 9529.074 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P60493
#48: Protein 50S RIBOSOMAL PROTEIN L28 /


Mass: 11004.160 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P60494
#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: HB8 / References: UniProt: Q5SHP6
#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: HB8 / References: UniProt: Q5SHQ6
#51: Protein 50S RIBOSOMAL PROTEIN L31 /


Mass: 8300.543 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SJE1
#52: Protein 50S RIBOSOMAL PROTEIN L32 /


Mass: 6722.050 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80339
#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: HB8 / References: UniProt: P35871
#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: HB8 / 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: HB8 / References: UniProt: Q5SKU1
#56: Protein/peptide 50S RIBOSOMAL PROTEIN L36 /


Mass: 4435.411 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHR2

-
Non-polymers , 3 types, 1039 molecules

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


Mass: 24.305 Da / Num. of mol.: 1033 / Source method: obtained synthetically / Formula: Mg
#58: Chemical ChemComp-PAR / PAROMOMYCIN / PAROMOMYCIN I / AMMINOSIDIN / CATENULIN / CRESTOMYCIN / MONOMYCIN A / NEOMYCIN E / Paromomycin


Mass: 615.628 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C23H45N5O14 / Comment: Antimicrobial, medication*YM
#59: Chemical
ChemComp-ZN / ZINC ION


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

-
Experimental details

-
Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 3

-
Sample preparation

CrystalDensity Matthews: 3.53 Å3/Da / Density % sol: 61.79 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7
Details: 4% PEG 20k, 4% PEG550 MME, 0.1M TRIS-ACETATE, 0.2M KSCN, 10mM MgCl2, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K

-
Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.9792 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Jul 22, 2011 / Details: mirrors
RadiationMonochromator: KOHZU DIAMOND MONOCHROMATOR / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9792 Å / Relative weight: 1
ReflectionResolution: 3.5→50 Å / Num. all: 720970 / Num. obs: 720017 / % possible obs: 99.9 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 11.5 % / Rmerge(I) obs: 0.438 / Rsym value: 0.461 / Net I/σ(I): 6.3
Reflection shellResolution: 3.5→3.7 Å / Redundancy: 9.6 % / Rmerge(I) obs: 1.303 / Mean I/σ(I) obs: 1.8 / Rsym value: 1.382 / % possible all: 99.9

-
Processing

Software
NameVersionClassification
ADSCQuantumdata collection
PHENIX(phenix.refine: 1.7_641)model building
PHENIX(phenix.refine: 1.7_641)refinement
PHENIX(phenix.refine: 1.8_1069)refinement
XDSdata reduction
XSCALEdata scaling
PHENIX1.7_641phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRIES 2WDG 2WDH 2WDI 2WDJ

2wdg
PDB Unreleased entry

2wdh
PDB Unreleased entry

2wdi
PDB Unreleased entry

2wdj
PDB Unreleased entry


Resolution: 3.516→35.071 Å / SU ML: 0.41 / σ(F): 1.99 / Phase error: 22.81 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2493 32818 4.56 %
Rwork0.2102 --
obs0.2119 719893 99.86 %
all-720970 -
Solvent computationShrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parameters
Baniso -1Baniso -2Baniso -3
1--9.4477 Å20 Å20 Å2
2--5.0433 Å2-0 Å2
3---5.6251 Å2
Refinement stepCycle: LAST / Resolution: 3.516→35.071 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19156 36211 501 0 55868
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.009319235
X-RAY DIFFRACTIONf_angle_d1.052477412
X-RAY DIFFRACTIONf_dihedral_angle_d20.121148976
X-RAY DIFFRACTIONf_chiral_restr0.08860525
X-RAY DIFFRACTIONf_plane_restr0.00825904
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.5158-3.55570.325911570.290521899X-RAY DIFFRACTION97
3.5557-3.59750.321311910.286322652X-RAY DIFFRACTION100
3.5975-3.64130.302911340.275122721X-RAY DIFFRACTION100
3.6413-3.68740.309411900.270822699X-RAY DIFFRACTION100
3.6874-3.73590.29911910.260322673X-RAY DIFFRACTION100
3.7359-3.7870.276211970.253422672X-RAY DIFFRACTION100
3.787-3.8410.278311860.245222745X-RAY DIFFRACTION100
3.841-3.89830.286711300.241222778X-RAY DIFFRACTION100
3.8983-3.95910.268811890.23322716X-RAY DIFFRACTION100
3.9591-4.02390.265811960.22722633X-RAY DIFFRACTION100
4.0239-4.09320.253611940.224522750X-RAY DIFFRACTION100
4.0932-4.16750.241411880.215822666X-RAY DIFFRACTION100
4.1675-4.24750.279611970.209522736X-RAY DIFFRACTION100
4.2475-4.33410.248211980.213322780X-RAY DIFFRACTION100
4.3341-4.42820.242911640.206722786X-RAY DIFFRACTION100
4.4282-4.5310.2545610.199923415X-RAY DIFFRACTION100
4.531-4.6440.23837040.200523259X-RAY DIFFRACTION100
4.644-4.76930.23978140.197923145X-RAY DIFFRACTION100
4.7693-4.90930.22249950.191723060X-RAY DIFFRACTION100
4.9093-5.06730.225911760.189822755X-RAY DIFFRACTION100
5.0673-5.24780.227811810.185522893X-RAY DIFFRACTION100
5.2478-5.45720.224611820.1822800X-RAY DIFFRACTION100
5.4572-5.70450.222811850.182622917X-RAY DIFFRACTION100
5.7045-6.00390.229611960.183322904X-RAY DIFFRACTION100
6.0039-6.3780.23211860.184522955X-RAY DIFFRACTION100
6.378-6.8670.2311940.185422915X-RAY DIFFRACTION100
6.867-7.55180.23337260.177823523X-RAY DIFFRACTION100
7.5518-8.63030.22718640.19123449X-RAY DIFFRACTION100
8.6303-10.82010.230410000.204223444X-RAY DIFFRACTION100
10.8201-35.07260.245111520.223823735X-RAY DIFFRACTION99
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)
10.0189-0.0101-0.00030.0450.00960.0326-0.0010.0401-0.0223-0.0113-0.0545-0.01290.04550.0057-0.07250.48270.1225-0.23860.382-0.16520.4067-11.095241.932597.7768
20.0002-0.00350.00730.006-0.01330.02670.00840.061-0.0009-0.042-0.012300.00240.0171-00.44810.0635-0.0520.36450.01940.247-13.4928115.992273.7442
30.0159-0.00250.0258-0.00260.00480.02350.00370.01330.006-0.0512-0.03480.06710.0036-0.0081-0.03810.35190.0604-0.27560.3497-0.08520.3635-88.8311102.129762.6155
40.00150.00590.00540.0240.02480.0198-0.01260.016-0.0041-0.00880.0076-0.00020.0033-0.0006-00.44510.0347-0.07780.4278-0.01450.4258-11.954982.5881113.6433
50.0002-0.00010.0004-00.00010.0003-0.001-0.00140.0004-0.001-0.0010.00030.0004-0.001100.53630.0066-0.0130.5371-0.00640.5311-45.349773.588252.9031
60-00.00010-00.00010.00020-00.00030.0002-0.0002-0.0003-0.0002-00.53840.006-0.00360.5363-0.00420.5357-23.174764.22856.155
70.0001-0.00020.00010.0001-0.00010.0001-0.0001-0.00030.0003-0.0003-0.0006-0.00020.0003-0.0004-00.57830.0056-0.00690.5794-0.00260.574-25.942167.444853.3766
80.00010.0001-0.00020-00.0001-0.00080.00040.0010.0007-0.00270.00030.0006-0-00.47690.0001-0.00080.4769-0.00320.4756-15.959575.11587.9669
90000.00030.00030.00030.0005-0-0.00030.0004-0.0007-0.00080.0001-0.0012-00.39220.0038-0.00870.3835-0.00940.392-44.211567.8195105.4238
100.00010.000100.000100-0.00020.0002-0.00010.0003-0.00040.0001-0.00030.000100.52270.0005-0.0050.52210.00060.5225-54.261751.619199.813
110.00010.00020.0001-0-0.000200.0004-0.0002-0.0001-0.00010.0002-0.00020.00060.000900.52670.0042-0.00290.52410.00210.523724.943.198126.8163
120.0001-0000.00010.0001-0.00010.00040.00020-0.0001-0.00010.0004-0-00.57410.0043-0.00270.5751-0.00060.574934.743243.7703118.6121
130.00010-00.000100.0001-0.00030.0003-0-0-0.0003-0.000200.0001-00.86870.0019-0.0010.8692-0.0010.870248.100652.9564117.2576
14-0.00080.0009-0.0011-0.0002-0.00050.0030.02680.01760.0063-0.00620.01-0.0040.00220.0083-00.57720.0308-0.00790.5633-0.01130.54872.796967.5371.6919
150.00950.0042-0.01460.0331-0.03780.0507-0.01570.05010.0271-0.0844-0.0194-0.0377-0.00940.01250.00280.40770.09280.07630.38230.23440.3237-64.435514.3576-69.4372
160.0056-0.0020.00570.04290.00920.0088-0.02850.00750.0850.01930.0126-0.0191-0.0396-0.001-0.00030.3818-0.0334-0.11490.1570.06680.3389-65.647437.14155.4358
170.0297-0.03240.01120.0344-0.01980.0058-0.0022-0.00490.02010.02770.03570.0138-0.0774-0.07980.01950.36220.19110.00560.3020.10730.4022-140.938149.7418-7.7482
18-0.0003-0.00360.00260.0192-0.02350.0213-0.03430.01890.01290.0004-0.0167-0.0135-0.02030.0152-00.29820.03220.0060.27380.03930.2895-64.7386-1.9204-28.7755
190.0002-0.0003-0.00010.0003-0.000200.0005-0.0007-0.0009-0.00050.002-0.0003-0.0010.000100.28890.0114-0.00280.28060.00980.2839-96.886859.2589-36.2922
20-00-00.0001-0.00010.00010.00010.0003-0.00020.00020.00030.00050.00040.0003-00.4862-0.001-0.00130.48310.00870.4856-75.193255.7083-46.1843
210.0002-0.0002-00.00020-0-0.0006-0.0006-0.0010.0004-0.00010.00140.0008-0.0001-00.38090.00030.00060.37770.01120.3815-78.232758.6978-42.6104
220.00010.000200.0001-00.0001-0.0003-0.00050.00110.0004-0.0003-0.0014-0.00080.000500.2106-0.003-0.00020.21410.00450.212-68.884323.6516-36.0816
230.00010-0.00010.0004-0.00040.0003-0.00080.00090.00090.0009-0.0006-0.00060.0002-0.000400.11930.00330.00090.10950.01470.1085-97.20267.035-43.134
240000.000100-00.0001-0.00030.0001-0-0.000300.0002-00.36230.0006-0.00460.36510.00370.3625-107.741413.4085-58.833
250.00010.0001-0.0002-0-0.00010.00020.00080.00080.000400.0012-0.001-0.0007-0.001100.50070.00320.00330.50230.00460.501-28.9815-15.2535-69.1552
2600-00-000.00050.00030.0002-0.00060.0009-0.00010.00020.0001-00.5218-0.00010.00390.52330.00250.5219-19.121-6.9031-68.9742
270.0001-0-00-00.0001-0-00.000400.00020.00020.00010.000200.77050.00190.00330.7734-0.00040.7725-5.0311-5.2697-59.3097
280.00110.0072-0.00050.0096-0.0030.0010.01490.00480.01440.0026-0.0048-0.0168-0.0050.00400.5294-0.02090.00250.51030.04660.5314-49.80139.7732-43.4139
290.00090.0005-0.00040.0011-0.00120.000900.00270.00210.00170.0032-0.00180.00330.003100.5084-0.01320.01320.54060.02120.5351-97.9994116.5351186.6755
300.00240.0008-0.0007-0.0001-0.0005-0-0.0041-0.00540.0006-0.00040.00220.00480.0022-0.000700.70320.00310.00170.76220.01850.7694-124.9459151.3209156.8486
310.00350.0056-0.00630.0077-0.01040.009-0.0133-0.0119-0.0045-0.0072-0.03230.0025-0.01340.007400.39950.0029-0.01340.38710.03110.3757-48.7223193.495997.2669
320.0001-0.0001-00.00030.00010.0001-0.0003-00.0011-0.00070.00010.0004-00.0003-00.4198-0.00030.00270.41110.00710.410810.9227231.631790.5453
330.00140.00110.00030.0014-0.0010.00120.0016-0.00120-0.0011-0.0053-0.00370.00160.005300.4301-0.0321-0.01290.4610.01260.4608-95.7139106.7935156.0884
340.1339-0.02910.13710.11890.00370.21680.0348-0.050.07880.09330.052-0.01480.0575-0.02080.28420.1274-0.0006-0.10710.15390.01960.089-17.0035132.0998170.7948
350.00050.0002-0.00010.00050.00070.00060.0027-0.0031-0.0031-0.00050.0009-0.00220.00060.0022-00.49310.0079-0.02260.5176-0.00430.5282-116.0553140.6478127.6341
360.00080.001-0.00010.001-0.00020.0007-0.0015-0.0009-0.0003-0.0015-0.0027-0.0010.00050.0013-00.2346-0.0321-0.01620.25460.01320.255-151.8575-73.68032.7031
370.0023-0.00040.0004-0.0001-0.00010.00030.0008-0.0005-0.0051-0.0001-0.00430.001-0.00110.0016-00.3906-0.0020.00080.45580.030.4441-178.6355-45.519238.4525
380.00350.00550.00580.00690.00910.0070.00690.0035-0.0070.01080.0203-0.0022-0.0053-0.000700.16160.0043-0.00780.1382-0.02950.1412-101.712812.302382.7806
390000.0002-0.00020.0003-0.0001-0.0003-0.001-0.0002-0.00050.00010.0007-0.0003-00.6394-0.0062-0.00790.6361-0.01080.6311-39.954819.739119.7673
400.00210.00040.00160.0023-00.0030.00420-0.00210.0019-0.0015-0.0036-0.00570.00320.00150.0421-0.0015-0.02750.05340.00460.0445-149.3688-43.1081-5.9714
410.0875-0.04430.08480.0729-0.08450.1214-0.0098-0.0671-0.0784-0.0355-0.0259-0.01110.1315-0.0169-0.0305-0.06010.0041-0.0784-0.07910.00750.0198-72.3123-59.744218.0456
420.0009-0.00040.00010.0009-0.00050.00030.00430.0021-0.00170.00010.00260.0007-0.0046-0.000200.29720.0103-0.00040.32940.01660.321-169.7873-16.059229.0389
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1((chain AA and (resid 4:576)) or (chain AD)
2X-RAY DIFFRACTION2((chain AA and ((resid 577:603) or (resid
3X-RAY DIFFRACTION3((chain AA and (resid 943:1417)) or (chain
4X-RAY DIFFRACTION4(chain AA and (resid 1418:1546))
5X-RAY DIFFRACTION5(chain AE and (resid 5:69))
6X-RAY DIFFRACTION6(chain AE and (resid 70:101))
7X-RAY DIFFRACTION7(chain AE and (resid 102:155))
8X-RAY DIFFRACTION8(chain AL and (resid 5:28))
9X-RAY DIFFRACTION9(chain AL and (resid 29:105))
10X-RAY DIFFRACTION10(chain AL and (resid 106:129))
11X-RAY DIFFRACTION11(chain AT and (resid 8:50))
12X-RAY DIFFRACTION12(chain AT and (resid 51:83))
13X-RAY DIFFRACTION13(chain AT and (resid 84:106))
14X-RAY DIFFRACTION14(chain AA and (resid 604:669))
15X-RAY DIFFRACTION15((chain CA and (resid 4:576)) or (chain CD)
16X-RAY DIFFRACTION16((chain CA and ((resid 577:603) or (resid
17X-RAY DIFFRACTION17((chain CA and (resid 943:1417)) or (chain
18X-RAY DIFFRACTION18(chain CA and (resid 1418:1546))
19X-RAY DIFFRACTION19(chain CE and (resid 5:69))
20X-RAY DIFFRACTION20(chain CE and (resid 70:101))
21X-RAY DIFFRACTION21(chain CE and (resid 102:155))
22X-RAY DIFFRACTION22(chain CL and (resid 5:28))
23X-RAY DIFFRACTION23(chain CL and (resid 29:105))
24X-RAY DIFFRACTION24(chain CL and (resid 106:129))
25X-RAY DIFFRACTION25(chain CT and (resid 8:50))
26X-RAY DIFFRACTION26(chain CT and (resid 51:83))
27X-RAY DIFFRACTION27(chain CT and (resid 84:106))
28X-RAY DIFFRACTION28(chain CA and (resid 604:669))
29X-RAY DIFFRACTION29((chain BB and (resid 70:107)) or (chain BZ
30X-RAY DIFFRACTION30((chain BB and (resid 1:69)) or (chain BB and
31X-RAY DIFFRACTION31((chain BA and (resid 2088:2227)) or (chain
32X-RAY DIFFRACTION32(chain BI and (resid 54:145))
33X-RAY DIFFRACTION33((chain BA and (resid 866:907)) or (chain BZ
34X-RAY DIFFRACTION34((chain BA and (resid 11:865)) or (chain BA
35X-RAY DIFFRACTION35((chain BA and (resid 2297:2319)) or (chain
36X-RAY DIFFRACTION36((chain DB and (resid 70:107)) or (chain DZ
37X-RAY DIFFRACTION37((chain DB and (resid 1:69)) or (chain DB and
38X-RAY DIFFRACTION38((chain DA and (resid 2088:2227)) or (chain
39X-RAY DIFFRACTION39(chain DI and (resid 54:145))
40X-RAY DIFFRACTION40((chain DA and (resid 866:907)) or (chain DZ
41X-RAY DIFFRACTION41((chain DA and (resid 11:865)) or (chain DA
42X-RAY DIFFRACTION42((chain DA and (resid 2297:2319)) or (chain

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