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- PDB-4yzv: Precleavage 70S structure of the P. vulgaris HigB deltaH92 toxin ... -

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Basic information

Entry
Database: PDB / ID: 4yzv
TitlePrecleavage 70S structure of the P. vulgaris HigB deltaH92 toxin bound to the ACA codon
Components
  • (30S ribosomal protein ...) x 20
  • (50S ribosomal protein ...) x 29
  • 16S rRNA
  • 23S rRNA
  • 5S rRNA
  • CC-puromycin
  • Killer protein
  • P-site tRNA-fMet
  • messenger RNA
KeywordsRIBOSOME / PROTEIN BIOSYNTHESIS / RIBOSOMES / BACTERIAL TOXINS / TRANSLATIONAL CONTROL
Function / homology
Function and homology information


plasmid maintenance / RNA catabolic process / translation repressor activity / RNA endonuclease activity / negative regulation of cell growth / large ribosomal subunit / ribosome binding / transferase activity / ribosomal small subunit biogenesis / ribosomal small subunit assembly ...plasmid maintenance / RNA catabolic process / translation repressor activity / RNA endonuclease activity / negative regulation of cell growth / large ribosomal subunit / ribosome binding / transferase activity / ribosomal small subunit biogenesis / ribosomal small subunit assembly / small ribosomal subunit / 5S rRNA binding / ribosomal large subunit assembly / small ribosomal subunit rRNA binding / large ribosomal subunit rRNA binding / cytosolic small ribosomal subunit / cytosolic large ribosomal subunit / Hydrolases; Acting on ester bonds / cytoplasmic translation / tRNA binding / negative regulation of translation / rRNA binding / structural constituent of ribosome / ribosome / translation / ribonucleoprotein complex / negative regulation of cell population proliferation / mRNA binding / zinc ion binding / metal ion binding / cytoplasm / cytosol
Similarity search - Function
Toxin HigB-1 / RelE-like toxin of type II toxin-antitoxin system HigB / Toxin-antitoxin system, RelE/ParE toxin domain superfamily / 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 ...Toxin HigB-1 / RelE-like toxin of type II toxin-antitoxin system HigB / Toxin-antitoxin system, RelE/ParE toxin domain superfamily / 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 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 L36 signature. / Ribosomal protein L32p, bacterial type / Ribosomal protein L25/Gln-tRNA synthetase, N-terminal / Ribosomal protein L25/Gln-tRNA synthetase, anti-codon-binding domain superfamily / : / Ribosomal protein L9 / Ribosomal protein L9, N-terminal domain superfamily / Ribosomal protein L9, N-terminal / Ribosomal protein L9, N-terminal domain / Ribosomal protein L33, conserved site / Ribosomal protein L33 signature. / Ribosomal protein L35, conserved site / Ribosomal protein L35 signature. / Ribosomal protein L28 / Ribosomal protein L35, non-mitochondrial / Ribosomal protein L18, bacterial-type / : / Ribosomal protein L6, bacterial-type / Ribosomal protein S3, bacterial-type / Ribosomal protein S14/S29 / Ribosomal protein S19, bacterial-type / Ribosomal protein S13, bacterial-type / Ribosomal protein S6, conserved site / Ribosomal protein S6 signature. / Ribosomal protein L9/RNase H1, N-terminal / Ribosomal protein S7, bacterial/organellar-type / Ribosomal protein S11, bacterial-type / Ribosomal protein S20 / Ribosomal protein S20 superfamily / Ribosomal protein S20 / Ribosomal protein L5, bacterial-type / Ribosomal protein S4, bacterial-type / Ribosomal protein L36 / Ribosomal protein L36 superfamily / Ribosomal protein L36 / 30S ribosomal protein S17 / Ribosomal protein S5, bacterial-type / Ribosomal protein L19, conserved site / Ribosomal protein L19 signature. / Ribosomal protein L27, conserved site / Ribosomal protein L27 signature. / Ribosomal protein S6, plastid/chloroplast / Ribosomal protein L20 signature. / Ribosomal protein L22, bacterial/chloroplast-type / Ribosomal protein L14P, bacterial-type / Ribosomal protein S2, bacteria/mitochondria/plastid / Ribosomal protein L34, conserved site / Ribosomal protein L34 signature. / Ribosomal protein L2, bacterial/organellar-type / Ribosomal protein L35 / Ribosomal protein L35 superfamily / Ribosomal protein L35 / Ribosomal protein L33 / Ribosomal protein L18 / Ribosomal L18 of archaea, bacteria, mitoch. and chloroplast / Ribosomal protein L33 / Ribosomal L28 family / Ribosomal protein L33 superfamily / Ribosomal protein S9, bacterial/plastid / Ribosomal protein L16 / Ribosomal protein S18, conserved site / Ribosomal protein L28/L24 / Ribosomal protein S18 signature. / Ribosomal protein S16 / Ribosomal protein L30, bacterial-type / Ribosomal protein S16 domain superfamily / Ribosomal protein S16 / L28p-like / : / Ribosomal protein S15, bacterial-type / Ribosomal protein S6 / Ribosomal protein S6 / Ribosomal protein L27 / Ribosomal protein S6 superfamily / Ribosomal L27 protein / Ribosomal protein S12, bacterial-type
Similarity search - Domain/homology
: / : / 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 ...: / : / 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 / Small ribosomal subunit protein bS6 / Small ribosomal subunit protein bS18 / Large ribosomal subunit protein bL9 / Endoribonuclease HigB / Large ribosomal subunit protein bL17
Similarity search - Component
Biological speciesProteus vulgaris (bacteria)
Thermus thermophilus HB8 (bacteria)
Escherichia coli (E. coli)
Streptomyces alboniger (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.1 Å
AuthorsSchureck, M.A. / Dunkle, J.A. / Maehigashi, T. / Dunham, C.M.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2015
Title: Defining the mRNA recognition signature of a bacterial toxin protein.
Authors: Schureck, M.A. / Dunkle, J.A. / Maehigashi, T. / Miles, S.J. / Dunham, C.M.
History
DepositionMar 25, 2015Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 21, 2015Provider: repository / Type: Initial release
Revision 1.1Nov 11, 2015Group: Database references
Revision 1.2Nov 25, 2015Group: Data collection
Revision 1.3Jul 20, 2016Group: Data collection
Revision 1.4Feb 5, 2020Group: Derived calculations / Category: pdbx_struct_assembly_gen / pdbx_struct_oper_list
Item: _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_oper_list.symmetry_operation
Revision 1.5Sep 27, 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_conn_type
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_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_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_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.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _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_conn_type.id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
QA: 16S rRNA
QB: 30S ribosomal protein S2
QC: 30S ribosomal protein S3
QD: 30S ribosomal protein S4
QE: 30S ribosomal protein S5
QF: 30S ribosomal protein S6
QG: 30S ribosomal protein S7
QH: 30S ribosomal protein S8
QI: 30S ribosomal protein S9
QJ: 30S ribosomal protein S10
QK: 30S ribosomal protein S11
QL: 30S ribosomal protein S12
QM: 30S ribosomal protein S13
QN: 30S ribosomal protein S14 type Z
QO: 30S ribosomal protein S15
QP: 30S ribosomal protein S16
QQ: 30S ribosomal protein S17
QR: 30S ribosomal protein S18
QS: 30S ribosomal protein S19
QT: 30S ribosomal protein S20
QU: 30S ribosomal protein Thx
QV: P-site tRNA-fMet
QX: messenger RNA
QY: Killer protein
RA: 23S rRNA
RB: 5S rRNA
RD: 50S ribosomal protein L2
RE: 50S ribosomal protein L3
RF: 50S ribosomal protein L4
RG: 50S ribosomal protein L5
RH: 50S ribosomal protein L6
RI: 50S ribosomal protein L9
RN: 50S ribosomal protein L13
RO: 50S ribosomal protein L14
RP: 50S ribosomal protein L15
RQ: 50S ribosomal protein L16
RR: 50S ribosomal protein L17
RS: 50S ribosomal protein L18
RT: 50S ribosomal protein L19
RU: 50S ribosomal protein L20
RV: 50S ribosomal protein L21
RW: 50S ribosomal protein L22
RX: 50S ribosomal protein L23
RY: 50S ribosomal protein L24
RZ: 50S ribosomal protein L25
R0: 50S ribosomal protein L27
R1: 50S ribosomal protein L28
R2: 50S ribosomal protein L29
R3: 50S ribosomal protein L30
R4: 50S ribosomal protein L31
R5: 50S ribosomal protein L32
R6: 50S ribosomal protein L33
R7: 50S ribosomal protein L34
R8: 50S ribosomal protein L35
R9: 50S ribosomal protein L36
XA: 16S rRNA
XB: 30S ribosomal protein S2
XC: 30S ribosomal protein S3
XD: 30S ribosomal protein S4
XE: 30S ribosomal protein S5
XF: 30S ribosomal protein S6
XG: 30S ribosomal protein S7
XH: 30S ribosomal protein S8
XI: 30S ribosomal protein S9
XJ: 30S ribosomal protein S10
XK: 30S ribosomal protein S11
XL: 30S ribosomal protein S12
XM: 30S ribosomal protein S13
XN: 30S ribosomal protein S14 type Z
XO: 30S ribosomal protein S15
XP: 30S ribosomal protein S16
XQ: 30S ribosomal protein S17
XR: 30S ribosomal protein S18
XS: 30S ribosomal protein S19
XT: 30S ribosomal protein S20
XU: 30S ribosomal protein Thx
XV: P-site tRNA-fMet
XX: messenger RNA
XY: Killer protein
YA: 23S rRNA
YB: 5S rRNA
YD: 50S ribosomal protein L2
YE: 50S ribosomal protein L3
YF: 50S ribosomal protein L4
YG: 50S ribosomal protein L5
YH: 50S ribosomal protein L6
YI: 50S ribosomal protein L9
YN: 50S ribosomal protein L13
YO: 50S ribosomal protein L14
YP: 50S ribosomal protein L15
YQ: 50S ribosomal protein L16
YR: 50S ribosomal protein L17
YS: 50S ribosomal protein L18
YT: 50S ribosomal protein L19
YU: 50S ribosomal protein L20
YV: 50S ribosomal protein L21
YW: 50S ribosomal protein L22
YX: 50S ribosomal protein L23
YY: 50S ribosomal protein L24
YZ: 50S ribosomal protein L25
Y0: 50S ribosomal protein L27
Y1: 50S ribosomal protein L28
Y2: 50S ribosomal protein L29
Y3: 50S ribosomal protein L30
Y4: 50S ribosomal protein L31
Y5: 50S ribosomal protein L32
Y6: 50S ribosomal protein L33
Y7: 50S ribosomal protein L34
Y8: 50S ribosomal protein L35
Y9: 50S ribosomal protein L36
Z6: CC-puromycin
Z7: CC-puromycin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)4,466,5261462
Polymers4,433,550112
Non-polymers32,9761350
Water00
1
QA: 16S rRNA
QB: 30S ribosomal protein S2
QC: 30S ribosomal protein S3
QD: 30S ribosomal protein S4
QE: 30S ribosomal protein S5
QF: 30S ribosomal protein S6
QG: 30S ribosomal protein S7
QH: 30S ribosomal protein S8
QI: 30S ribosomal protein S9
QJ: 30S ribosomal protein S10
QK: 30S ribosomal protein S11
QL: 30S ribosomal protein S12
QM: 30S ribosomal protein S13
QN: 30S ribosomal protein S14 type Z
QO: 30S ribosomal protein S15
QP: 30S ribosomal protein S16
QQ: 30S ribosomal protein S17
QR: 30S ribosomal protein S18
QS: 30S ribosomal protein S19
QT: 30S ribosomal protein S20
QU: 30S ribosomal protein Thx
QV: P-site tRNA-fMet
QX: messenger RNA
QY: Killer protein
RA: 23S rRNA
RB: 5S rRNA
RD: 50S ribosomal protein L2
RE: 50S ribosomal protein L3
RF: 50S ribosomal protein L4
RG: 50S ribosomal protein L5
RH: 50S ribosomal protein L6
RI: 50S ribosomal protein L9
RN: 50S ribosomal protein L13
RO: 50S ribosomal protein L14
RP: 50S ribosomal protein L15
RQ: 50S ribosomal protein L16
RR: 50S ribosomal protein L17
RS: 50S ribosomal protein L18
RT: 50S ribosomal protein L19
RU: 50S ribosomal protein L20
RV: 50S ribosomal protein L21
RW: 50S ribosomal protein L22
RX: 50S ribosomal protein L23
RY: 50S ribosomal protein L24
RZ: 50S ribosomal protein L25
R0: 50S ribosomal protein L27
R1: 50S ribosomal protein L28
R2: 50S ribosomal protein L29
R3: 50S ribosomal protein L30
R4: 50S ribosomal protein L31
R5: 50S ribosomal protein L32
R6: 50S ribosomal protein L33
R7: 50S ribosomal protein L34
R8: 50S ribosomal protein L35
R9: 50S ribosomal protein L36
Z7: CC-puromycin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)2,232,412696
Polymers2,216,77556
Non-polymers15,637640
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
XA: 16S rRNA
XB: 30S ribosomal protein S2
XC: 30S ribosomal protein S3
XD: 30S ribosomal protein S4
XE: 30S ribosomal protein S5
XF: 30S ribosomal protein S6
XG: 30S ribosomal protein S7
XH: 30S ribosomal protein S8
XI: 30S ribosomal protein S9
XJ: 30S ribosomal protein S10
XK: 30S ribosomal protein S11
XL: 30S ribosomal protein S12
XM: 30S ribosomal protein S13
XN: 30S ribosomal protein S14 type Z
XO: 30S ribosomal protein S15
XP: 30S ribosomal protein S16
XQ: 30S ribosomal protein S17
XR: 30S ribosomal protein S18
XS: 30S ribosomal protein S19
XT: 30S ribosomal protein S20
XU: 30S ribosomal protein Thx
XV: P-site tRNA-fMet
XX: messenger RNA
XY: Killer protein
YA: 23S rRNA
YB: 5S rRNA
YD: 50S ribosomal protein L2
YE: 50S ribosomal protein L3
YF: 50S ribosomal protein L4
YG: 50S ribosomal protein L5
YH: 50S ribosomal protein L6
YI: 50S ribosomal protein L9
YN: 50S ribosomal protein L13
YO: 50S ribosomal protein L14
YP: 50S ribosomal protein L15
YQ: 50S ribosomal protein L16
YR: 50S ribosomal protein L17
YS: 50S ribosomal protein L18
YT: 50S ribosomal protein L19
YU: 50S ribosomal protein L20
YV: 50S ribosomal protein L21
YW: 50S ribosomal protein L22
YX: 50S ribosomal protein L23
YY: 50S ribosomal protein L24
YZ: 50S ribosomal protein L25
Y0: 50S ribosomal protein L27
Y1: 50S ribosomal protein L28
Y2: 50S ribosomal protein L29
Y3: 50S ribosomal protein L30
Y4: 50S ribosomal protein L31
Y5: 50S ribosomal protein L32
Y6: 50S ribosomal protein L33
Y7: 50S ribosomal protein L34
Y8: 50S ribosomal protein L35
Y9: 50S ribosomal protein L36
Z6: CC-puromycin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)2,234,114766
Polymers2,216,77556
Non-polymers17,339710
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)214.199, 453.266, 609.870
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
DetailsThere are 2 biological units in the asymmetric unit.

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Components

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RNA chain , 6 types, 12 molecules QAXAQVXVQXXXRAYARBYBZ6Z7

#1: RNA chain 16S rRNA


Mass: 493958.281 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / References: GenBank: 55771382
#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) / References: GenBank: 751399318
#23: RNA chain messenger RNA


Mass: 7846.815 Da / Num. of mol.: 2 / Source method: obtained synthetically / Details: RNA oligonucleotide / Source: (synth.) Escherichia coli (E. coli)
#25: RNA chain 23S rRNA


Mass: 948240.625 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / References: GenBank: 55771382
#26: RNA chain 5S rRNA


Mass: 40152.945 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / References: GenBank: 55771382
#56: RNA chain CC-puromycin


Mass: 1098.880 Da / Num. of mol.: 2 / Source method: obtained synthetically / Details: RNA oligonucleotide / Source: (synth.) Streptomyces alboniger (bacteria)

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

#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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P80377
#14: Protein 30S ribosomal protein S14 type Z


Mass: 7158.725 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P80380
#21: Protein/peptide 30S ribosomal protein Thx / S31


Mass: 3089.655 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SIH3

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Protein , 1 types, 2 molecules QYXY

#24: Protein Killer protein


Mass: 13575.263 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Proteus vulgaris (bacteria) / Gene: higB / Plasmid: pBAD/Myc-HisA / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BW25113 / References: UniProt: Q7A225

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

#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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P60405
#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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHN8
#29: Protein 50S ribosomal protein L4 / L1e


Mass: 23271.914 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHN9
#30: Protein 50S ribosomal protein L5


Mass: 21061.596 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHQ0
#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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHQ3, UniProt: P0DOY8*PLUS
#32: Protein 50S ribosomal protein L9


Mass: 16422.180 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SLQ1
#33: Protein 50S ribosomal protein L13


Mass: 15927.903 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P60488
#34: Protein 50S ribosomal protein L14


Mass: 13323.612 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHP8
#35: Protein 50S ribosomal protein L15


Mass: 16319.142 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHQ7
#36: Protein 50S ribosomal protein L16


Mass: 15993.909 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P60489
#37: Protein 50S ribosomal protein L17


Mass: 13750.148 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q9Z9H5
#38: Protein 50S ribosomal protein L18 / TL24


Mass: 12639.845 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHQ4
#39: Protein 50S ribosomal protein L19


Mass: 17188.830 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P60490
#40: Protein 50S ribosomal protein L20


Mass: 13779.275 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P60491
#41: Protein 50S ribosomal protein L21


Mass: 11069.153 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P60492
#42: Protein 50S ribosomal protein L22


Mass: 12808.055 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHP3
#43: Protein 50S ribosomal protein L23


Mass: 10759.808 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHP0
#44: Protein 50S ribosomal protein L24


Mass: 12085.611 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHP9
#45: Protein 50S ribosomal protein L25 / TL5


Mass: 23238.572 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHZ1
#46: Protein 50S ribosomal protein L27


Mass: 9529.074 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P60493
#47: Protein 50S ribosomal protein L28


Mass: 11004.160 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P60494
#48: Protein 50S ribosomal protein L29


Mass: 8670.258 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHP6
#49: Protein 50S ribosomal protein L30


Mass: 6799.126 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHQ6
#50: Protein 50S ribosomal protein L31


Mass: 8300.543 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SJE1
#51: Protein 50S ribosomal protein L32


Mass: 6722.050 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P80339
#52: Protein 50S ribosomal protein L33


Mass: 6632.896 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P35871
#53: 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 HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P80340
#54: Protein 50S ribosomal protein L35


Mass: 7506.178 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SKU1
#55: Protein/peptide 50S ribosomal protein L36 / Ribosomal protein B


Mass: 4435.411 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHR2

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Non-polymers , 2 types, 1350 molecules

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


Mass: 24.305 Da / Num. of mol.: 1346 / Source method: obtained synthetically / Formula: Mg
#58: Chemical
ChemComp-ZN / ZINC ION


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

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Experimental details

-
Experiment

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

-
Sample preparation

CrystalDensity Matthews: 3.39 Å3/Da / Density % sol: 63.67 %
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

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
DetectorType: RAYONIX MX300HE / Detector: CCD / Date: Apr 14, 2014
RadiationMonochromator: Cryogenically-cooled Si-220 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.1→35 Å / Num. obs: 1053912 / % possible obs: 99.3 % / Observed criterion σ(I): -3 / Redundancy: 4.4 % / Biso Wilson estimate: 62.62 Å2 / Rmerge F obs: 0.977 / Rmerge(I) obs: 0.202 / Rrim(I) all: 0.23 / Χ2: 0.993 / Net I/σ(I): 5.65 / Num. measured all: 4586438
Reflection shell

Diffraction-ID: 1 / Rejects: _

Resolution (Å)Highest resolution (Å)Rmerge F obsRmerge(I) obsMean I/σ(I) obsNum. measured obsNum. possibleNum. unique obsRrim(I) all% possible all
3.1-3.20.5830.721.8436592895856915470.82995.5
3.2-3.30.6930.5692.3735858084594845480.6599.9
3.3-3.40.7610.4852.8533105674935749160.552100
3.4-3.50.7940.4353.1929405066613665920.496100
3.5-3.60.8310.3813.6126244359479594610.434100
3.6-3.70.8550.3464.0823452053258532280.39499.9
3.7-3.80.8890.2984.5921121147823478110.339100
3.8-40.9060.2685.2436068081869818270.30599.9
4-50.9450.1966.8910601222408952406480.22399.9
5-60.9670.1458.624693721068781065460.16499.7
6-80.9790.1179.5137250485388847370.13399.2
8-100.9850.09310.7513210830643302630.10598.8
10-200.9910.07311.7412018428603280400.08398
20-300.9860.06711.811161300828760.07895.6
300.9680.1413.25251913538720.1764.4

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Processing

Software
NameVersionClassification
PHENIX(phenix.refine: 1.8.2_1309)refinement
XDSdata reduction
XSCALEdata scaling
PDB_EXTRACT3.15data extraction
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3I9B and 3I9C

3i9b
PDB Unreleased entry

3i9c
PDB Unreleased entry


Resolution: 3.1→34.932 Å / FOM work R set: 0.8558 / SU ML: 0.36 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 22.23 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2375 49419 4.69 %inherited from 2J00, 2J01, 2J02, 2J03
Rwork0.2034 1003695 --
obs0.205 1053114 99.32 %-
Solvent computationShrinkage radii: 0.8 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 386.39 Å2 / Biso mean: 75.33 Å2 / Biso min: 1.87 Å2
Refinement stepCycle: final / Resolution: 3.1→34.932 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms94471 198606 1498 0 294575
Biso mean--40.69 --
Num. residues----21070
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.004318434
X-RAY DIFFRACTIONf_angle_d0.86475994
X-RAY DIFFRACTIONf_chiral_restr0.0560227
X-RAY DIFFRACTIONf_plane_restr0.00525872
X-RAY DIFFRACTIONf_dihedral_angle_d17.023148793
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.1-3.13520.340715530.3128307083226192
3.1352-3.17210.319116700.2895324093407997
3.1721-3.21070.307717730.2777329893476299
3.2107-3.25130.293217070.26863340635113100
3.2513-3.29410.291818140.26193332035134100
3.2941-3.33920.2918040.25743333035134100
3.3392-3.38680.286817620.2523341335175100
3.3868-3.43740.284317110.2493344135152100
3.4374-3.4910.282617000.24323343335133100
3.491-3.54820.27617460.23873340735153100
3.5482-3.60930.258817540.22933342935183100
3.6093-3.67490.257616680.22573355635224100
3.6749-3.74550.2517450.21333345835203100
3.7455-3.82190.242517900.20823341435204100
3.8219-3.90480.23816810.20493349635177100
3.9048-3.99560.226817680.19743345035218100
3.9956-4.09530.22317170.19483355435271100
4.0953-4.20590.222717670.18693350635273100
4.2059-4.32940.222718090.18423343135240100
4.3294-4.46890.215214130.18323387735290100
4.4689-4.62830.20739880.17483427935267100
4.6283-4.81310.200412500.17363407635326100
4.8131-5.03160.198416000.16973373635336100
5.0316-5.2960.196917620.16583356335325100
5.296-5.62650.196117560.1663363035386100
5.6265-6.05890.205817360.17083361635352100
6.0589-6.66480.224517630.176336843544799
6.6648-7.62050.22812820.1782340683535099
7.6205-9.56820.229613040.1956341513545599
9.5682-34.93470.224216260.2072338653549197
Refinement TLS params.

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

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
1-0.0067-0.02230.03180.07530.13440.02620.0223-0.01880.0233-0.0580.0437-0.06140.1346-0.022700.61040.0291-0.16350.2937-0.23180.4445-11.779541.093294.2646
2-0.0295-0.00680.01080.0134-0.01280.04820.00910.02520.0062-0.0685-0.0114-0.0494-0.0268-0.076400.668-0.01610.0560.2467-0.09890.1915-17.4039117.269473.0556
30.0175-0.01610.0963-0.08420.0630.0133-0.0715-0.05030.0176-0.2138-0.17770.09560.0299-0.026900.4870.1661-0.5910.6543-0.46940.4929-95.4465101.444168.1257
4-0.0119-0.02060.01330.01110.05110.0145-0.02550.0205-0.0213-0.0344-0.0016-0.016-0.0245-0.0114-00.3960.0634-0.09450.3573-0.04830.3605-13.428677.894115.135
50.0002-0.00110.0009-0.00050.00010.0003-0.0015-0.0007-0.0003-0.0001-0.00130.00180.0001-0.002100.5096-0.0022-0.03060.5038-0.01980.4884-51.559573.484555.1484
6-0.0001-0-0.00010-0.00010.0004-0.00260.0006-0.00060.0007-0.0005-0.0006-0.0003-0.0015-00.41420.00030.00730.4076-0.01510.3994-29.112364.397855.968
7-0.00030.0003-0.0001-0.00010.00030.00030.00210.0008-0.00140.00190.0012-0.00220.0019-0.0016-00.4705-0.0018-0.00850.4492-0.02440.4424-31.974467.915152.9361
8-0.00010.0006-0.0001-0.00010.00040.00010.00030.00180.0004-0.00210.0011-0.0016-0.00150.0025-00.398-0.00440.00430.3945-0.00550.3925-19.158274.413186.7789
9-00.00010.00040.00070.00080.0003-0.0008-0.00080.00090.0022-0.00150.00120.0011-0.0005-00.4414-0.0123-0.01370.4317-0.03240.4278-45.155564.6788105.7879
10-00.0002-0000.0001-0.0012-0.00040.00020.000400.0004-0.0008-0.0006-00.3438-0.0085-0.00180.3445-0.00370.3385-55.000348.388999.4039
11-00.00060-0.0006-0.0002-0.00070.0034-0.00020.0004-0.00210.0018-0.00210.0020.0013-00.52070.0093-0.01250.5157-0.00810.523526.038543.8241120.7035
120-0.00010.00010.00010.0002-00.0003-0.0015-0-00.0002-0.00080.00070.002700.69060.0091-0.00590.692-0.0070.696435.42445.3259111.6381
130.00010.0001-0.000100.0001-0-0.00060.0006-0.0003-0.0001-0.0010.00010.00020.0009-00.7017-0.00080.00410.7001-0.00410.704447.555855.3674109.152
14-0.00580.002-0.00890.00080.01060.0090.04820.0085-0.0013-0.01310.0188-0.01250.00640.0015-00.6124-0.00640.01310.5552-0.06260.55161.228156.764966.8238
15-0.0063-0.0428-0.00520.0184-0.05190.0804-0.1027-0.02840.0248-0.17850.01580.053-0.03360.0885-00.71860.05650.02870.34160.15290.1236-75.279812.1408-70.1407
16-0.01860.00160.01310.0339-0.00610.0114-0.0639-0.04130.0887-0.02840.0110.0186-0.0545-0.008500.4164-0.0602-0.10090.12540.02930.2749-69.8534.916.2188
170.0218-0.08430.02590.0028-0.0957-0.0259-0.0424-0.05730.0321-0.06930.1812-0.0207-0.1942-0.103700.39380.4047-0.12670.45140.16590.3816-146.579152.8545-3.2988
18-0.0187-0.0233-0.01550.0031-0.0320.0101-0.07120.01790.0276-0.003-0.0219-0.0001-0.02580.0012-00.40590.04950.04560.3230.01070.3225-76.7364-7.9723-33.1178
190.0002-0.0005-0.0003-0.0001-0.0002-0.00020.0001-0.0002-0.0023-0.00110.00310.0024-0.00160.000500.45160.0112-0.02370.42680.01790.4332-104.185457.6743-35.4367
2000.0001-0.00010.00020.00020-00.0003-0.0002-0.00030.0004-0.0004-0.00040.0002-00.46860.0006-0.00960.45640.01160.4619-83.34152.8507-46.6002
21-0.00030.00040.0005-0.0001-0.0005-0.0001-0.0003-0.0012-0.00120.00020.00020.00310.0030.0003-00.3678-0.0036-0.01730.34690.01770.3498-85.277856.4043-42.8306
22-0.00010.00030.0001-0.0003-0-0.00040.0004-0.00070.00240.00110.0014-0.0038-0.00150.0005-00.33550.00060.00290.33960.00720.3389-77.868520.8313-36.5576
23-0.0001-0.00030.00050.0004-0.00040.00040.0012-0.0018-0.0029-0.0009-0.0006-0.00030.00140.000600.36730.0037-0.02250.34980.03070.3483-107.48166.4929-43.0433
240000-00-0.00110-0.00040.0009-0.0010.00010.0002000.3081-0.0029-0.00540.30210.00390.3014-117.723314.1508-58.4933
25-0.000100.0002-0.001-0.0004-0.00040.0011-0.0001-0.0006-0.00290.0002-0.003-0.0006-0.0004-00.5470.00570.01310.54350.00780.5384-42.3925-20.6329-70.7627
260.0001-0-0.00010-0.00010.00020.0007-0.0001-0.0007-0.00080.001-0.00120.0001-0.000400.63110.00660.01240.63030.00360.6257-31.4698-13.2907-70.3702
270.0001-00000.000100.00050.00020.0003-0-0.00050.0001-0.000200.7294-0.00040.00480.72990.00030.7267-18.1564-12.8903-61.6137
28-0.00340.01190.00010.0043-0.00870.00080.0213-0.00550.0056-0.0223-0.0129-0.0008-0.01160.016-00.6005-0.03570.02060.55930.06470.5415-56.184636.8712-56.7274
290.00220.0019-0.00310.00170.0010.0025-0.001600.00580.01770.00460.00380.00380.005200.3713-0.07280.03910.5099-0.04370.492-93.4371113.1575192.4685
300.0039-0.00060.0004-0.00090.0006-0.00360.0066-0.0129-0.0044-0.01340.0080.0043-0.0004-0.0053-00.65090.04280.00170.8178-0.08580.8268-124.2264148.3612167.2043
310.00130.00220.0026-0.0048-0.0049-0.0045-0.00190.0126-0.0061-0.0003-0.02510.0416-0.013-0.031500.4026-0.03560.02460.33410.00860.3349-48.8007183.08796.921
32-0.0005-0.0001-0.00080.00080.0002-0.0002-0.0004-0.0021-0.0011-0.00220.00080.0018-0.0012-0.000700.68870.00540.01330.66080.00320.66690.7262234.492191.6182
330.01820.0024-0.0275-0.00120.01470.00880.0215-0.04680.01750.00620.03210.0044-0.02440.023100.1801-0.11410.02060.2914-0.09120.2878-81.9581116.3996177.0894
340.01060.0060.03590.05540.11360.06770.0407-0.030.01080.004-0.0015-0.00530.00110.001300.1597-0.0502-0.01120.2018-0.04010.1856-16.8983130.1806169.0867
350.0039-0.0022-0.0051-0.00230.00740.00520.0111-0.01240.0071-0.02570.0051-0.0154-0.00150.015300.36580.0107-0.05280.5001-0.07280.4933-114.9303139.5175138.7941
360.00150.00260.00140.0014-0.00180.0008-0.0069-0.0045-0.00470.0006-0.0168-0.01420.0077-0.005300.3974-0.0705-0.06690.4930.02480.4722-165.249-69.224512.2345
370.00350.0001-0.0019-0.0026-0.00040.0006-0.0076-0.0055-0.0102-0.0162-0.00750.0106-0.0168-0.00800.4733-0.01460.02940.69980.08790.5987-186.7647-38.331449.7695
380.01540.00690.0260.00990.00290.01280.02820.042-0.0020.00290.02250.0045-0.00860.023200.18370.0011-0.02650.2124-0.02510.1795-93.466414.401778.8866
39-0.00030.00060.0001-0.00020.00030.00030.0003-0.0033-0.00020.00090.00170.0005-0.00130.000400.6571-0.0144-0.00690.6484-0.020.6373-38.180516.973118.1756
400.01460.04210.01720.0004-0.0305-0.0060.0456-0.0159-0.0315-0.0014-0.0606-0.0313-0.0282-0.01100.1585-0.0651-0.14520.30090.06820.2652-150.9536-56.095813.6329
41-0.00340.12740.1406-0.5478-0.3455-0.03070.177-0.14760.1475-0.60760.2292-0.4735-0.23190.1234-0-0.30250.2137-0.53210.03110.2062-0.1388-84.1658-60.066920.12
420.00320.0027-0.00190.0019-0.0051-0.00250.010.0025-0.00930.00010.0074-0.0156-0.03920.008900.38560.0260.01780.54030.0570.462-173.6438-12.330539.1351
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1((chain QA and (resid 5:560)) or (chain QD) or (chain QP) or (chain QQ))Q0
2X-RAY DIFFRACTION2((chain QA and ((resid 561:587) or (resid 654:920))) or (chain QO) or (chain QR) or (chain QK) or (chain QF) or (chain QH))Q0
3X-RAY DIFFRACTION3((chain QA and (resid 921:1400)) or (chain QC) or (chain QJ) or (chain QU) or (chain QI) or (chain QG) or (chain QM) or (chain QS) or (chain QB) or (chain QN))Q0
4X-RAY DIFFRACTION4(chain QA and (resid 1401:1509))Q0
5X-RAY DIFFRACTION5(chain QE and (resid 5:69))Q0
6X-RAY DIFFRACTION6(chain QE and (resid 70:101))Q0
7X-RAY DIFFRACTION7(chain QE and (resid 102:155))Q0
8X-RAY DIFFRACTION8(chain QL and (resid 5:28))Q0
9X-RAY DIFFRACTION9(chain QL and (resid 29:105))Q0
10X-RAY DIFFRACTION10(chain QL and (resid 106:129))Q0
11X-RAY DIFFRACTION11(chain QT and (resid 8:50))Q0
12X-RAY DIFFRACTION12(chain QT and (resid 51:83))Q0
13X-RAY DIFFRACTION13(chain QT and (resid 84:106))Q0
14X-RAY DIFFRACTION14(chain QA and (resid 588:653))Q0
15X-RAY DIFFRACTION15((chain XA and (resid 5:560)) or (chain XD) or (chain XP) or (chain XQ))X0
16X-RAY DIFFRACTION16((chain XA and ((resid 561:571) or (resid 654:920))) or (chain XO) or (chain XR) or (chain XK) or (chain XF) or (chain XH))X0
17X-RAY DIFFRACTION17((chain XA and (resid 921:1400)) or (chain XC) or (chain XJ) or (chain XU) or (chain XI) or (chain XG) or (chain XM) or (chain XS) or (chain XB) or (chain XN))X0
18X-RAY DIFFRACTION18(chain XA and (resid 1401:1509))X0
19X-RAY DIFFRACTION19(chain XE and (resid 5:69))X0
20X-RAY DIFFRACTION20(chain XE and (resid 70:101))X0
21X-RAY DIFFRACTION21(chain XE and (resid 102:155))X0
22X-RAY DIFFRACTION22(chain XL and (resid 5:28))X0
23X-RAY DIFFRACTION23(chain XL and (resid 29:105))X0
24X-RAY DIFFRACTION24(chain XL and (resid 106:129))X0
25X-RAY DIFFRACTION25(chain XT and (resid 8:50))X0
26X-RAY DIFFRACTION26(chain XT and (resid 51:83))X0
27X-RAY DIFFRACTION27(chain XT and (resid 84:106))X0
28X-RAY DIFFRACTION28(chain XA and (resid 588:653))X0
29X-RAY DIFFRACTION29((chain RB and (resid 70:107)) or (chain RZ and (resid 3:94)))R0
30X-RAY DIFFRACTION30((chain RB and (resid 1:69)) or (chain RB and (resid 108:119)))R0
31X-RAY DIFFRACTION31((chain RA and (resid 2109:2238)))R0
32X-RAY DIFFRACTION32(chain RI and (resid 54:145))R0
33X-RAY DIFFRACTION33((chain RA and (resid 912:952)) or (chain RZ and (resid 95:178)) or (chain RQ))R0
34X-RAY DIFFRACTION34((chain RA and (resid 5:911)) or (chain RA and (resid 953:2108)) or (chain RA and (resid 2239:2307)) or (chain RA (and resid 2331:2904)) or (chain RD) or (chain RE) or (chain RF) or (chain RH) or (chain RI and (resid 1:53)) or (chain RN) or (chain RO) or (chain RP) or (chain RR) or (chain RS) or (chain RT) or (chain RU) or (chain RV) or (chain RW) or (chain RX) or (chain RY) or (chain R0) or (chain R1) or (chain R2) or (chain R3) or (chain R4))R0
35X-RAY DIFFRACTION35((chain RA and (resid 2308:2330)) or (chain RG))R0
36X-RAY DIFFRACTION36((chain YB and (resid 70:107)) or (chain YZ and (resid 3:94)))Y0
37X-RAY DIFFRACTION37((chain YB and (resid 1:69)) or (chain YB and (resid 108:119)))Y0
38X-RAY DIFFRACTION38((chain YA and (resid 2109:2238)))Y0
39X-RAY DIFFRACTION39(chain YI and (resid 54:145))Y0
40X-RAY DIFFRACTION40((chain YA and (resid 912:952)) or (chain YZ and (resid 95:178)) or (chain YQ))Y0
41X-RAY DIFFRACTION41((chain YA and (resid 5:911)) or (chain YA and (resid 953:2108)) or (chain YA and (resid 2239:2307)) or (chain YA (and resid 2331:2904)) or (chain YD) or (chain YE) or (chain YF) or (chain YH) or (chain YI and (resid 1:53)) or (chain YN) or (chain YO) or (chain YP) or (chain YR) or (chain YS) or (chain YT) or (chain YU) or (chain YV) or (chain YW) or (chain YX) or (chain YY) or (chain Y0) or (chain Y1) or (chain Y2) or (chain Y3) or (chain Y4))Y0
42X-RAY DIFFRACTION42((chain YA and (resid 2308:2330)) or (chain YG))Y0

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