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- PDB-4www: Crystal structure of the E. coli ribosome bound to CEM-101 -

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Basic information

Entry
Database: PDB / ID: 4www
TitleCrystal structure of the E. coli ribosome bound to CEM-101
Components
  • (30S ribosomal protein ...) x 20
  • (50S ribosomal protein ...) x 29
  • 16S rRNA
  • 23S rRNA23S ribosomal RNA
  • 5S rRNA5S ribosomal RNA
KeywordsRibosome/antibiotic / ribosomes / 70S / macrolide / ketolide / Ribosome-antibiotic complex
Function / homology
Function and homology information


stringent response / mRNA base-pairing translational repressor activity / ornithine decarboxylase inhibitor activity / misfolded RNA binding / transcription antitermination factor activity, RNA binding / Group I intron splicing / RNA folding / transcriptional attenuation / endoribonuclease inhibitor activity / RNA-binding transcription regulator activity ...stringent response / mRNA base-pairing translational repressor activity / ornithine decarboxylase inhibitor activity / misfolded RNA binding / transcription antitermination factor activity, RNA binding / Group I intron splicing / RNA folding / transcriptional attenuation / endoribonuclease inhibitor activity / RNA-binding transcription regulator activity / positive regulation of ribosome biogenesis / negative regulation of cytoplasmic translation / translational termination / DnaA-L2 complex / : / four-way junction DNA binding / negative regulation of translational initiation / translation repressor activity / negative regulation of DNA-templated DNA replication initiation / regulation of mRNA stability / ribosome assembly / mRNA regulatory element binding translation repressor activity / response to reactive oxygen species / assembly of large subunit precursor of preribosome / positive regulation of RNA splicing / DNA endonuclease activity / transcription elongation factor complex / cytosolic ribosome assembly / regulation of DNA-templated transcription elongation / transcription antitermination / regulation of cell growth / maintenance of translational fidelity / DNA-templated transcription termination / response to radiation / mRNA 5'-UTR binding / ribosomal small subunit biogenesis / small ribosomal subunit rRNA binding / ribosomal large subunit assembly / ribosomal small subunit assembly / cytosolic small ribosomal subunit / large ribosomal subunit rRNA binding / ribosome binding / large ribosomal subunit / ribosome biogenesis / regulation of translation / cytoplasmic translation / small ribosomal subunit / 5S rRNA binding / cytosolic large ribosomal subunit / transferase activity / tRNA binding / negative regulation of translation / rRNA binding / molecular adaptor activity / ribosome / structural constituent of ribosome / translation / response to antibiotic / mRNA binding / negative regulation of DNA-templated transcription / DNA binding / RNA binding / zinc ion binding / membrane / cytosol / cytoplasm
Similarity search - Function
Ribosomal protein S21, conserved site / Ribosomal protein S21 signature. / Ribosomal protein L25, short-form / Ribosomal protein S14, bacterial/plastid / Ribosomal protein L11, bacterial-type / Ribosomal protein S21 superfamily / Ribosomal protein S21 / Ribosomal protein S16, conserved site / Ribosomal protein S16 signature. / Ribosomal protein S21 ...Ribosomal protein S21, conserved site / Ribosomal protein S21 signature. / Ribosomal protein L25, short-form / Ribosomal protein S14, bacterial/plastid / Ribosomal protein L11, bacterial-type / Ribosomal protein S21 superfamily / Ribosomal protein S21 / Ribosomal protein S16, conserved site / Ribosomal protein S16 signature. / Ribosomal protein S21 / Ribosomal protein L11, conserved site / Ribosomal protein L21, conserved site / Ribosomal protein L21 signature. / Ribosomal protein L11 signature. / Ribosomal protein L16 signature 1. / : / Ribosomal protein L6, conserved site / Ribosomal protein L6 signature 1. / Ribosomal protein L16, conserved site / Ribosomal protein L16 signature 2. / Ribosomal protein L11, N-terminal / Ribosomal protein L17 signature. / Ribosomal protein L9 signature. / Ribosomal protein L9, bacteria/chloroplast / Ribosomal protein L9, C-terminal / Ribosomal protein L9, C-terminal domain / Ribosomal protein L9, C-terminal domain superfamily / Ribosomal protein L11/L12 / Ribosomal protein L11, C-terminal / Ribosomal protein L11, C-terminal domain superfamily / Ribosomal protein L11/L12, N-terminal domain superfamily / Ribosomal protein L11/L12 / Ribosomal protein L11, N-terminal domain / Ribosomal protein L11, RNA binding domain / Ribosomal L25p family / Ribosomal protein L25 / Ribosomal protein L28/L24 superfamily / 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
Similarity search - Domain/homology
Chem-EM1 / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein bS6 / Small ribosomal subunit protein uS7 / Large ribosomal subunit protein uL15 / Large ribosomal subunit protein uL11 ...Chem-EM1 / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein bS6 / Small ribosomal subunit protein uS7 / Large ribosomal subunit protein uL15 / Large ribosomal subunit protein uL11 / Large ribosomal subunit protein bL19 / Large ribosomal subunit protein bL20 / Large ribosomal subunit protein bL27 / Large ribosomal subunit protein bL28 / Large ribosomal subunit protein uL29 / Large ribosomal subunit protein bL32 / Large ribosomal subunit protein bL33 / Large ribosomal subunit protein bL34 / Large ribosomal subunit protein bL35 / Large ribosomal subunit protein bL36A / Large ribosomal subunit protein bL9 / Small ribosomal subunit protein uS10 / Small ribosomal subunit protein uS11 / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS13 / Small ribosomal subunit protein bS16 / Small ribosomal subunit protein bS18 / Small ribosomal subunit protein uS19 / Small ribosomal subunit protein bS20 / Small ribosomal subunit protein uS2 / Small ribosomal subunit protein uS3 / Small ribosomal subunit protein uS4 / Small ribosomal subunit protein uS5 / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS9 / Large ribosomal subunit protein uL13 / Large ribosomal subunit protein uL14 / Large ribosomal subunit protein uL16 / Large ribosomal subunit protein uL23 / Small ribosomal subunit protein uS15 / Large ribosomal subunit protein bL17 / Large ribosomal subunit protein bL21 / Large ribosomal subunit protein uL30 / Large ribosomal subunit protein uL6 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Large ribosomal subunit protein uL18 / Large ribosomal subunit protein uL2 / Large ribosomal subunit protein uL3 / Large ribosomal subunit protein uL24 / Large ribosomal subunit protein uL4 / Large ribosomal subunit protein uL22 / Large ribosomal subunit protein uL5 / Small ribosomal subunit protein bS21 / Large ribosomal subunit protein bL25
Similarity search - Component
Biological speciesEscherichia coli str. K-12 substr. MG1655 (bacteria)
Escherichia coli (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.1 Å
AuthorsDunkle, J.A. / Zhang, W. / Cate, J.H.D. / Mankin, A.S.
CitationJournal: Antimicrob. Agents Chemother. / Year: 2010
Title: Binding and action of CEM-101, a new fluoroketolide antibiotic that inhibits protein synthesis.
Authors: Llano-Sotelo, B. / Dunkle, J. / Klepacki, D. / Zhang, W. / Fernandes, P. / Cate, J.H. / Mankin, A.S.
History
DepositionNov 12, 2014Deposition site: RCSB / Processing site: RCSB
SupersessionDec 24, 2014ID: 4V80
Revision 1.0Dec 24, 2014Provider: repository / Type: Initial release
Revision 1.1Sep 27, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Source and taxonomy / Structure summary
Category: atom_type / chem_comp ...atom_type / chem_comp / chem_comp_atom / chem_comp_bond / database_2 / entity / entity_src_nat / pdbx_entity_nonpoly / pdbx_initial_refinement_model / pdbx_prerelease_seq / pdbx_struct_conn_angle / pdbx_struct_oper_list / refine_hist / struct_conn
Item: _chem_comp.name / _database_2.pdbx_DOI ..._chem_comp.name / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity.pdbx_description / _entity_src_nat.pdbx_alt_source_flag / _pdbx_entity_nonpoly.name / _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 / _pdbx_struct_oper_list.symmetry_operation / _refine_hist.d_res_high / _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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
RA: 23S rRNA
RB: 5S rRNA
RC: 50S ribosomal protein L2
RD: 50S ribosomal protein L3
RE: 50S ribosomal protein L4
RF: 50S ribosomal protein L5
RG: 50S ribosomal protein L6
RH: 50S ribosomal protein L9
RI: 50S ribosomal protein L11
RJ: 50S ribosomal protein L13
RK: 50S ribosomal protein L14
RL: 50S ribosomal protein L15
RM: 50S ribosomal protein L16
RN: 50S ribosomal protein L17
RO: 50S ribosomal protein L18
RP: 50S ribosomal protein L19
RQ: 50S ribosomal protein L20
RR: 50S ribosomal protein L21
RS: 50S ribosomal protein L22
RT: 50S ribosomal protein L23
RU: 50S ribosomal protein L24
RV: 50S ribosomal protein L25
RW: 50S ribosomal protein L27
RX: 50S ribosomal protein L28
RY: 50S ribosomal protein L29
RZ: 50S ribosomal protein L30
R0: 50S ribosomal protein L32
R1: 50S ribosomal protein L33
R2: 50S ribosomal protein L34
R3: 50S ribosomal protein L35
R4: 50S ribosomal protein L36
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
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 S21
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
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 S21
YA: 23S rRNA
YB: 5S rRNA
YC: 50S ribosomal protein L2
YD: 50S ribosomal protein L3
YE: 50S ribosomal protein L4
YF: 50S ribosomal protein L5
YG: 50S ribosomal protein L6
YH: 50S ribosomal protein L9
YI: 50S ribosomal protein L11
YJ: 50S ribosomal protein L13
YK: 50S ribosomal protein L14
YL: 50S ribosomal protein L15
YM: 50S ribosomal protein L16
YN: 50S ribosomal protein L17
YO: 50S ribosomal protein L18
YP: 50S ribosomal protein L19
YQ: 50S ribosomal protein L20
YR: 50S ribosomal protein L21
YS: 50S ribosomal protein L22
YT: 50S ribosomal protein L23
YU: 50S ribosomal protein L24
YV: 50S ribosomal protein L25
YW: 50S ribosomal protein L27
YX: 50S ribosomal protein L28
YY: 50S ribosomal protein L29
YZ: 50S ribosomal protein L30
Y0: 50S ribosomal protein L32
Y1: 50S ribosomal protein L33
Y2: 50S ribosomal protein L34
Y3: 50S ribosomal protein L35
Y4: 50S ribosomal protein L36
hetero molecules


Theoretical massNumber of molelcules
Total (without water)4,237,894468
Polymers4,228,144104
Non-polymers9,750364
Water30,7701708
1
RA: 23S rRNA
RB: 5S rRNA
RC: 50S ribosomal protein L2
RD: 50S ribosomal protein L3
RE: 50S ribosomal protein L4
RF: 50S ribosomal protein L5
RG: 50S ribosomal protein L6
RH: 50S ribosomal protein L9
RI: 50S ribosomal protein L11
RJ: 50S ribosomal protein L13
RK: 50S ribosomal protein L14
RL: 50S ribosomal protein L15
RM: 50S ribosomal protein L16
RN: 50S ribosomal protein L17
RO: 50S ribosomal protein L18
RP: 50S ribosomal protein L19
RQ: 50S ribosomal protein L20
RR: 50S ribosomal protein L21
RS: 50S ribosomal protein L22
RT: 50S ribosomal protein L23
RU: 50S ribosomal protein L24
RV: 50S ribosomal protein L25
RW: 50S ribosomal protein L27
RX: 50S ribosomal protein L28
RY: 50S ribosomal protein L29
RZ: 50S ribosomal protein L30
R0: 50S ribosomal protein L32
R1: 50S ribosomal protein L33
R2: 50S ribosomal protein L34
R3: 50S ribosomal protein L35
R4: 50S ribosomal protein L36
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
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 S21
hetero molecules


Theoretical massNumber of molelcules
Total (without water)2,119,406236
Polymers2,114,07252
Non-polymers5,334184
Water27015
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
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 S21
YA: 23S rRNA
YB: 5S rRNA
YC: 50S ribosomal protein L2
YD: 50S ribosomal protein L3
YE: 50S ribosomal protein L4
YF: 50S ribosomal protein L5
YG: 50S ribosomal protein L6
YH: 50S ribosomal protein L9
YI: 50S ribosomal protein L11
YJ: 50S ribosomal protein L13
YK: 50S ribosomal protein L14
YL: 50S ribosomal protein L15
YM: 50S ribosomal protein L16
YN: 50S ribosomal protein L17
YO: 50S ribosomal protein L18
YP: 50S ribosomal protein L19
YQ: 50S ribosomal protein L20
YR: 50S ribosomal protein L21
YS: 50S ribosomal protein L22
YT: 50S ribosomal protein L23
YU: 50S ribosomal protein L24
YV: 50S ribosomal protein L25
YW: 50S ribosomal protein L27
YX: 50S ribosomal protein L28
YY: 50S ribosomal protein L29
YZ: 50S ribosomal protein L30
Y0: 50S ribosomal protein L32
Y1: 50S ribosomal protein L33
Y2: 50S ribosomal protein L34
Y3: 50S ribosomal protein L35
Y4: 50S ribosomal protein L36
hetero molecules


Theoretical massNumber of molelcules
Total (without water)2,118,488232
Polymers2,114,07252
Non-polymers4,416180
Water37821
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)210.759, 433.272, 618.863
Angle α, β, γ (deg.)90.0, 90.0, 90.0
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2

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Components

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RNA chain , 3 types, 6 molecules RAYARBYBQAXA

#1: RNA chain 23S rRNA / 23S ribosomal RNA


Mass: 941612.375 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Escherichia coli str. K-12 substr. MG1655 (bacteria)
References: GenBank: 545778205
#2: RNA chain 5S rRNA / 5S ribosomal RNA


Mass: 38177.762 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Escherichia coli str. K-12 substr. MG1655 (bacteria)
References: GenBank: 545778205
#32: RNA chain 16S rRNA /


Mass: 496892.375 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Escherichia coli str. K-12 substr. MG1655 (bacteria)
References: GenBank: 545778205

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

#3: Protein 50S ribosomal protein L2 /


Mass: 29663.244 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P60422
#4: Protein 50S ribosomal protein L3 /


Mass: 22277.535 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P60438
#5: Protein 50S ribosomal protein L4 /


Mass: 22121.566 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P60723
#6: Protein 50S ribosomal protein L5 /


Mass: 20202.416 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P62399
#7: Protein 50S ribosomal protein L6 /


Mass: 18801.598 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0AG55
#8: Protein 50S ribosomal protein L9 /


Mass: 15789.020 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7R1
#9: Protein 50S ribosomal protein L11 /


Mass: 14763.165 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7J7
#10: Protein 50S ribosomal protein L13 /


Mass: 16050.606 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0AA10
#11: Protein 50S ribosomal protein L14 /


Mass: 13451.910 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0ADY3
#12: Protein 50S ribosomal protein L15 /


Mass: 14877.273 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P02413
#13: Protein 50S ribosomal protein L16 /


Mass: 15312.269 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0ADY7
#14: Protein 50S ribosomal protein L17 /


Mass: 13721.938 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0AG44
#15: Protein 50S ribosomal protein L18 /


Mass: 12663.471 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0C018
#16: Protein 50S ribosomal protein L19 /


Mass: 13028.082 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7K6
#17: Protein 50S ribosomal protein L20 /


Mass: 13396.828 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7L3
#18: Protein 50S ribosomal protein L21 /


Mass: 11586.374 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0AG48
#19: Protein 50S ribosomal protein L22 /


Mass: 12253.359 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P61175
#20: Protein 50S ribosomal protein L23 /


Mass: 10546.472 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0ADZ0
#21: Protein 50S ribosomal protein L24 /


Mass: 11078.874 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P60624
#22: Protein 50S ribosomal protein L25 /


Mass: 10713.465 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P68919
#23: Protein 50S ribosomal protein L27 /


Mass: 8476.680 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7L8
#24: Protein 50S ribosomal protein L28 /


Mass: 8896.354 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7M2
#25: Protein 50S ribosomal protein L29 /


Mass: 7286.464 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7M6
#26: Protein 50S ribosomal protein L30 /


Mass: 6423.625 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0AG51
#27: Protein 50S ribosomal protein L32 /


Mass: 6332.249 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7N4
#28: Protein/peptide 50S ribosomal protein L33 /


Mass: 5814.842 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7N9
#29: Protein/peptide 50S ribosomal protein L34 /


Mass: 5397.463 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7P5
#30: Protein 50S ribosomal protein L35 / / Ribosomal protein A


Mass: 7181.835 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7Q1
#31: Protein/peptide 50S ribosomal protein L36 / / Ribosomal protein B


Mass: 4377.390 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7Q6

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

#33: Protein 30S ribosomal protein S2 /


Mass: 24253.943 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7V0
#34: Protein 30S ribosomal protein S3 /


Mass: 23078.785 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7V3
#35: Protein 30S ribosomal protein S4 /


Mass: 23383.002 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7V8
#36: Protein 30S ribosomal protein S5 /


Mass: 15804.282 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7W1
#37: Protein 30S ribosomal protein S6 /


Mass: 11669.371 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P02358
#38: Protein 30S ribosomal protein S7 /


Mass: 16861.523 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P02359
#39: Protein 30S ribosomal protein S8 /


Mass: 14015.361 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7W7
#40: Protein 30S ribosomal protein S9 /


Mass: 14554.882 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7X3
#41: Protein 30S ribosomal protein S10 /


Mass: 11196.988 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7R5
#42: Protein 30S ribosomal protein S11 /


Mass: 12487.200 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7R9
#43: Protein 30S ribosomal protein S12 /


Mass: 13636.961 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7S3
#44: Protein 30S ribosomal protein S13 /


Mass: 12625.753 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7S9
#45: Protein 30S ribosomal protein S14 /


Mass: 11606.560 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0AG59
#46: Protein 30S ribosomal protein S15 /


Mass: 10159.621 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0ADZ4
#47: Protein 30S ribosomal protein S16 /


Mass: 9207.572 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7T3
#48: Protein 30S ribosomal protein S17 /


Mass: 9263.946 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0AG63
#49: Protein 30S ribosomal protein S18 /


Mass: 6466.477 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7T7
#50: Protein 30S ribosomal protein S19 /


Mass: 9057.626 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7U3
#51: Protein 30S ribosomal protein S20 /


Mass: 9506.190 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P0A7U7
#52: Protein 30S ribosomal protein S21 /


Mass: 6067.081 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) / Strain: K12 / References: UniProt: P68679

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Non-polymers , 4 types, 2072 molecules

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


Mass: 24.305 Da / Num. of mol.: 361
Source method: isolated from a genetically manipulated source
Formula: Mg
#54: Chemical ChemComp-EM1 / (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside / CEM-101 / Solithromycin


Mass: 845.009 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C43H65FN6O10 / Comment: antibiotic*YM
#55: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Formula: Zn
#56: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 1708 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

-
Experiment

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

-
Sample preparation

CrystalDensity Matthews: 3.37 Å3/Da / Density % sol: 63.5 %
Crystal growTemperature: 291 K / Method: microbatch / pH: 6.5 / Details: PEG8k, MPD

-
Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 12.3.1 / Wavelength: 1.1 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Jun 13, 2009
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.1 Å / Relative weight: 1
ReflectionResolution: 3→69.783 Å / Num. obs: 1034420 / % possible obs: 97.76 % / Redundancy: 3.3 % / Biso Wilson estimate: 68.0827419216 Å2 / Rmerge(I) obs: 0.111 / Net I/σ(I): 8.27

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Processing

Software
NameClassification
PHENIXrefinement
HKL-2000data reduction
HKL-2000data scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3i1m, 3i1n, 3i1o, 3i1p

3i1m
PDB Unreleased entry

3i1n
PDB Unreleased entry

3i1o
PDB Unreleased entry

3i1p
PDB Unreleased entry


Resolution: 3.1→69.7825450184 Å / SU ML: 0.420806247642 / Cross valid method: FREE R-VALUE / σ(F): 1.32616957969 / Phase error: 26.3782671321
RfactorNum. reflection% reflection
Rfree0.25189911381 19579 2.01681105079 %
Rwork0.200038103937 951211 -
obs0.201089122939 970790 95.8379938181 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 10.465297947 Å2
Refinement stepCycle: LAST / Resolution: 3.1→69.7825450184 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms89302 193031 423 1708 284464
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00574382867221306768
X-RAY DIFFRACTIONf_angle_d0.970596774181458740
X-RAY DIFFRACTIONf_chiral_restr0.071191118450458606
X-RAY DIFFRACTIONf_plane_restr0.0048912702576724677
X-RAY DIFFRACTIONf_dihedral_angle_d17.7088907215143049
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.1-3.13520.388497818935620.40787200283127240X-RAY DIFFRACTION83.14243847
3.1352-3.17210.3785310615065760.38851481624528043X-RAY DIFFRACTION85.3050761573
3.1721-3.21080.3791885779325980.37363428313828448X-RAY DIFFRACTION86.4901884882
3.2108-3.25140.3748897680725750.36346655995828904X-RAY DIFFRACTION87.714234706
3.2514-3.29420.3637776162415970.35316719453229367X-RAY DIFFRACTION89.3061516452
3.2942-3.33930.3248903742925610.29035973542429820X-RAY DIFFRACTION90.3497293761
3.3393-3.38710.3217621412846360.264081209730017X-RAY DIFFRACTION91.4278044561
3.3871-3.43760.3018933590226500.24366416661930524X-RAY DIFFRACTION92.7990950496
3.4376-3.49130.2834089196426600.23526232881330909X-RAY DIFFRACTION93.9329921447
3.4913-3.54860.3032886145696480.23507555615431372X-RAY DIFFRACTION95.1899637315
3.5486-3.60970.2883317278386360.22485088177731566X-RAY DIFFRACTION95.9192183963
3.6097-3.67540.2728591844946520.21219545041131859X-RAY DIFFRACTION96.6467493088
3.6754-3.74610.2571045331196380.20411241374432055X-RAY DIFFRACTION97.3150766483
3.7461-3.82250.2651830159926510.20045349490232355X-RAY DIFFRACTION97.9522792023
3.8225-3.90560.253553824076480.19486667912932457X-RAY DIFFRACTION98.3277889985
3.9056-3.99650.2404160225186800.17922841191332469X-RAY DIFFRACTION98.7018013994
3.9965-4.09640.2429073510346830.18307740491932648X-RAY DIFFRACTION98.9138498976
4.0964-4.20720.2371991668486510.18150361787132821X-RAY DIFFRACTION99.1234304667
4.2072-4.33090.2457380170197020.17334182937232771X-RAY DIFFRACTION99.302836122
4.3309-4.47070.2173484604686530.17080002576332917X-RAY DIFFRACTION99.5374488525
4.4707-4.63050.2236818855616980.16779125239232936X-RAY DIFFRACTION99.7390427614
4.6305-4.81580.2113395596667210.16021696053333014X-RAY DIFFRACTION99.7545685729
4.8158-5.03490.218183219676830.16640541081233058X-RAY DIFFRACTION99.7310238827
5.0349-5.30030.2347521955656670.16599104112433077X-RAY DIFFRACTION99.7281002483
5.3003-5.63230.2230884659166730.15962891869733099X-RAY DIFFRACTION99.728325065
5.6323-6.06690.2285157056527110.16588832271433166X-RAY DIFFRACTION99.8320268757
6.0669-6.6770.2539976873846960.1755827825633220X-RAY DIFFRACTION99.8234047563
6.677-7.64210.2167527438596930.16224768758833440X-RAY DIFFRACTION99.9034127495
7.6421-9.62430.2343410939456710.17758233960233624X-RAY DIFFRACTION99.9242446316
9.6243-69.80020.213250860627090.18310580757734015X-RAY DIFFRACTION98.9231382827
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)
10.06710.0092-0.07590.1464-0.03340.13960.02040.07440.0088-0.2139-0.072-0.1201-0.0912-0.1178-0.0160.39420.17790.20280.29610.20420.3366-62.093312.6296-76.2395
20.002-0.00360.00080.0133-0.00730.00460.00730.01570.0092-0.0044-0.01-0.0112-0.01230.0048-00.44210.14290.03090.32450.06550.4524-85.463636.2955-31.0982
30.0029-0.0032-0.00060.00330.00060.0001-0.0030.00040.0057-0.0091-0.0003-0.0034-0.0089-000.56110.11490.01630.50990.08640.5903-98.1656.9954-40.0107
40.0015-0.0011-0.00050.0017-0.00070.001-0.007-0.0005-0.0063-0.0016-0.0005-0.00190.00040.0002-00.5720.06140.01740.54450.10510.579-79.525455.3562-47.3636
50.00170.00010.00050.00710.00170.00090.0024-0.00320.00520.00240.0021-0.0034-0.007-0.0019-00.9060.0282-0.00220.74310.03260.9549-86.12485.639-19.9606
60.0001-0.00010.00010.0004-0.00010.00010.0005-0.00230.0022-0.0009-0.00150.0010.0022-0.0022-01.00420.023-0.00420.9942-0.00051.0099-117.895684.3027-17.6605
70.1456-0.051-0.01690.0549-0.04330.09570.05910.00120.02220.04750.13420.01770.0687-0.1221-0.00010.47750.170.16860.35250.22350.5202-145.893944.045-3.5416
80.00320.00290.00070.0032-0.00020.00240.00720.0018-0.00730.003-0.0058-0.00040.0006-0.00401.1537-0.0172-0.03671.1390.04671.1403-167.910220.3944-45.6058
90.1368-0.11190.04520.1259-0.01720.1005-0.0567-0.06970.25240.11330.0672-0.1256-0.13-0.0257-0.00490.38920.0708-0.05180.0969-0.00420.4705-64.295938.6871-2.7709
100.00790.018500.1055-0.06590.0564-0.0619-0.00070.0088-0.0425-0.0704-0.0451-0.00440.001-0.01280.23990.08570.17970.23280.12140.3626-55.5751-6.5957-42.0266
110.0987-0.0005-0.0650.08020.00220.184-0.072-0.0582-0.18180.1260.00760.0140.0550.089700.6736-0.0238-0.17790.21070.05080.4408-29.10934.7737103.8561
120.00680.00830.00880.00930.01030.0114-0.00120.0199-0.0179-0.0252-0.0182-0.0119-0.0142-0.0368-00.5002-0.184-0.22210.33910.0170.2879-40.841781.716575.1959
130.0005-00.00080.00010.00020.00090.00090.01010.0027-0.00160.00160.00430.00020.004-00.5328-0.0617-0.11050.4744-0.02590.4726-51.089873.622552.6808
140.00050.00040.00050.00070.00010.0006-0.004-0.00540.0014-0.0008-0.003-0.00380.00640.0145-00.6073-0.089-0.07630.5169-0.03450.5766-34.335463.599358.17
150.00250.0013-0.00160.001-0.00060.0040.0060.01280.0021-0.0103-0.00020.0009-0.0013-0.002100.9685-0.0472-0.00740.9394-0.03510.8395-30.748989.727926.2235
160.00030.000300.000500.00060.00090.00270.00220.00070.00060.0017-0.001-0.0023-01.20670.0004-0.00631.20440.00131.1939-61.739196.618721.4939
170.0827-0.03620.01690.02280.02050.0633-0.1010.02140.0740.14220.08660.0530.03760.0032-00.5643-0.1501-0.23850.36170.15580.536-95.0402114.65454.8972
180.0021-0.0008-0.00090.0016-0.00140.00180.00470.0067-0.00860.0006-0.00980.01470.0013-0.0116-01.7737-0.029-0.00371.78640.0231.7868-125.334375.303573.871
190.17670.1130.05860.21750.01090.0405-0.01530.0265-0.01730.0475-0.0628-0.1575-0.09790.0761-0.30770.532-0.2765-0.16020.20840.05010.1355-14.8711106.250975.8744
200.02440.03130.01030.05690.03880.0343-0.0898-0.005-0.0695-0.00620.0466-0.04720.05130.0914-00.7449-0.0463-0.1980.61720.10670.53-22.697569.3242123.433
210.1199-0.0303-0.0140.1410.02920.0687-0.0077-0.01190.03080.14680.0214-0.0404-0.03720.0040.0234-0.2426-0.0468-0.10640.0609-0.022-0.0076-64.9421-59.49715.1176
220.02570.00450.01440.0079-0.00490.010.0711-0.04890.0073-0.03940.0373-0.0315-0.065-0.0129-00.36460.0088-0.11220.4210.1020.5432-139.0256-50.4103-62.9902
230.0024-0.0005-0.00010-0.00010.0002-0.008-0.00910.0061-0.00890.00880.00740.0021-0.00400.4834-0.02670.01020.52680.0150.465-102.8242-3.9093-3.3971
240.00340.00320.00210.00750.00540.00340.003-0.0022-0.01220.00180.04390.0128-0.0303-0.057400.43590.01360.0280.4092-0.05280.4503-94.719619.20478.8397
250.0005-0.0002-0.00030.0005-0.00030.0006-0.00240.00940.0113-0.0012-0.00490.002-0.0048-0.0006-01.29210.00150.01271.26510.00051.291-148.0079-27.1024-12.1618
260.0089-0.00060.00720.0109-0.0020.0072-0.00220.04010.0051-0.00420.0173-0.0013-0.06990.0548-00.2298-0.00780.00520.43940.04250.4778-165.2315-23.314616.2986
270.0267-0.0122-0.00290.00810.00270.00830.0234-0.0007-0.01410.0094-0.08460.0422-0.00540.0029-00.05650.0170.14130.3533-0.02450.4805-173.6743-53.665730.2975
280.0124-0.00140.00410.0496-0.01980.0186-0.04620.00450.0198-0.0303-0.02760.04990.0004-0.0326-0.0002-0.005-0.0065-0.02190.2727-0.08670.2826-142.8533-79.9947-7.8139
290.00080.0006-0.00130.0009-0.00140.00250.0028-0.00430.01120.0029-0.00030.006-0.0121-0.0066-01.0256-0.0114-0.00521.0128-0.02151.0014-64.515220.5256121.9515
300.0606-0.0181-0.1320.1341-0.05120.3821-0.0661-0.29060.00110.24040.21710.1184-0.16360.2590.02110.6793-0.2359-0.16350.5286-0.2445-0.0531-30.0803131.1724170.6302
310.00930.00490.00130.00280.00130.00250.0256-0.00670.0166-0.00670.00890.00740.00390.004301.9527-0.02060.02142.0075-0.01941.9738-116.654172.0317149.8837
320.00080.0004-0.00140.0002-0.00070.0023-0.00450.00030.00150.0002-0.00580.0014-0.00470.0076-00.9194-0.10920.02650.883-0.03810.8954-60.2278115.5976109.6762
330.0046-0.0037-0.00030.0035-0.00210.0025-0.01860.00440.0219-0.0147-0.01610.0355-0.0096-0.022-0.00011.26040.01320.05441.27190.00871.2792-28.5965193.195190.5045
340.000700.00050.00040.00050.0009-0.0013-00.0016-0.0004-0.0013-0.0009-0-0.0008-01.9527-0.0009-0.00661.9607-0.0111.9593-110.1482124.8681131.9044
350.00330.00090.00010.00220.00140.0028-0.00980.00120.0034-0.0108-0.0079-0.00450.00280.0024-0.00011.38340.00160.00191.414-0.00831.4011-121.2353152.2611115.834
360.0113-0.0073-0.00180.0053-0.00040.0018-0.004-0.0104-0.0140.00080.00150.0180.0074-0.010601.23870.12640.02721.28970.08791.3159-129.2086170.5556143.0612
370.0040.0014-0.00360.0014-0.00240.0062-0.01940.0229-0.00260.0008-0.0090.00710.0157-0.021200.93160.07810.06181.06290.10440.9736-113.6375128.4329176.3239
380.0013-0.00060.00050.00230.00040.00040.00220.01070.0059-0.0068-0.00330.0026-0.0046-0.007900.93410.01030.01250.90940.0120.916111.3204227.249388.4593
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1((chain QA and (resid 2:8 or resid 27:557)) or (chain QD and resid 1:205) or (chain QP and resid 1:82) or (chain QT and resid 2:86) or (chain QL and resid 22:123) or (chain ZQ and (resid 299 or resid 315 or resid 362 or resid 417 or resid 509 or resid 547 or resid 533 or resid 608 or resid 536 or resid 116 or resid 352 or resid 324 or resid 100 or resid 195 or resid 259 or resid 258)))Q0
2X-RAY DIFFRACTION2((chain QA and (resid 9:26 or resid 558:562 or resid 564:566 or resid 914:925 or resid 1391:1396)) or (chain QL and resid 1:21) or (chain ZQ and (resid 21 or resid 560)))Q0
3X-RAY DIFFRACTION3(chain QE and resid 9:73)Q0
4X-RAY DIFFRACTION4(chain QE and resid 74:149)Q0
5X-RAY DIFFRACTION5(chain QB and (resid 8:107 or resid 147:225))Q0
6X-RAY DIFFRACTION6(chain QB and resid 108:146)Q0
7X-RAY DIFFRACTION7((chain QA and (resid 926:986 or resid 1048:1390)) or (chain QC and resid 1:206) or (chain QG and resid 1:151) or (chain QI and resid 3:129) or (chain QJ and resid 5:102) or (chain QM and resid 1:114) or (chain QN and resid 1:100) or (chain QS and resid 2:80) or (chain ZQ and (resid 934 or resid 937 or resid 980 or resid 1048 or resid 1076 or resid 1054 or resid 1303 or resid 1386 or resid 964 or resid 1222 or resid 1110 or resid 1108)))Q0
8X-RAY DIFFRACTION8(chain QA and resid 987:1047)Q0
9X-RAY DIFFRACTION9((chain QA and (resid 563 or resid 567:913 or resid 1496:1530)) or (chain QF and resid 1:100) or (chain QH and resid 1:129) or (chain QK and resid 12:128) or (chain QO and resid 1:88) or (chain QR and resid 19:73) or (chain QU and resid 3:53) or (chain ZQ and (resid 572 or resid 578 or resid 593 or resid 770 or resid 814 or resid 891 or resid 1500 or resid 1499 or resid 781 or resid 869 or resid 1525)))Q0
10X-RAY DIFFRACTION10((chain QA and resid 1397:1495) or (chain ZQ and (resid 1417 or resid 8201)))Q0
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12X-RAY DIFFRACTION12((chain XA and (resid 9:26 or resid 558:562 or resid 564:566 or resid 914:925 or resid 1391:1396)) or (chain XL and resid 1:21) or (chain ZU and (resid 21 or resid 560)))X0
13X-RAY DIFFRACTION13(chain XE and resid 9:73)X0
14X-RAY DIFFRACTION14(chain XE and resid 74:149)X0
15X-RAY DIFFRACTION15(chain XB and (resid 8:107 or resid 147:225))X0
16X-RAY DIFFRACTION16(chain XB and resid 108:146)X0
17X-RAY DIFFRACTION17((chain XA and (resid 926:986 or resid 1048:1390)) or (chain XC and resid 1:206) or (chain XG and resid 1:151) or (chain XI and resid 3:129) or (chain XJ and resid 5:102) or (chain XM and resid 1:114) or (chain XN and resid 1:100) or (chain XS and resid 2:80) or (chain ZU and (resid 934 or resid 937 or resid 980 or resid 1048 or resid 1076 or resid 1054 or resid 1303 or resid 1386 or resid 964 or resid 1222 or resid 1110 or resid 1108)))X0
18X-RAY DIFFRACTION18(chain XA and resid 987:1047)X0
19X-RAY DIFFRACTION19((chain XA and (resid 563 or resid 567:913 or resid 1496:1530)) or (chain XF and resid 1:100) or (chain XH and resid 1:129) or (chain XK and resid 12:128) or (chain XO and resid 1:88) or (chain XR and resid 19:73) or (chain XU and resid 3:53) or (chain ZU and (resid 572 or resid 578 or resid 593 or resid 770 or resid 814 or resid 891 or resid 1500 or resid 1499 or resid 781 or resid 869 or resid 1525)))X0
20X-RAY DIFFRACTION20((chain XA and resid 1397:1495) or (chain ZU and (resid 1417 or resid 8201)))X0
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22X-RAY DIFFRACTION22((chain RA and resid 1039:1115) or (chain RI and resid 1:141))R0
23X-RAY DIFFRACTION23(chain RA and resid 1906:1929)R0
24X-RAY DIFFRACTION24(chain RA and resid 2093:2197)R0
25X-RAY DIFFRACTION25(chain RA and resid 877:901)R0
26X-RAY DIFFRACTION26((chain RA and resid 2297:2321) or (chain RF and resid 1:177) or (chain ZR and resid 2304))R0
27X-RAY DIFFRACTION27((chain RB and (resid 2:69 or resid 108:119)) or (chain RO and resid 2:117))R0
28X-RAY DIFFRACTION28((chain RB and resid 70:107) or (chain RV and resid 1:94) or (chain ZR and resid 6095:6100))R0
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30X-RAY DIFFRACTION30((chain YA and (resid 1:876 or resid 902:1038 or resid 1116:1905 or resid 1930:2092 or resid 2198:2296 or resid 2322:2903)) or (chain YC and resid 1:271) or (chain YS and resid 1:110) or (chain YT and resid 1:93) or (chain YU and resid 1:102) or (chain YD and resid 1:209) or (chain YE and resid 1:201) or (chain YG and resid 1:176) or (chain YJ and resid 1:142) or (chain YK and resid 1:122) or (chain YL and resid 2:144) or (chain YM and resid 1:136) or (chain YN and resid 1:120) or (chainYY0
31X-RAY DIFFRACTION31((chain YA and resid 1039:1115) or (chain YI and resid 1:141))Y0
32X-RAY DIFFRACTION32(chain YA and resid 1906:1929)Y0
33X-RAY DIFFRACTION33(chain YA and resid 2093:2197)Y0
34X-RAY DIFFRACTION34(chain YA and resid 877:901)Y0
35X-RAY DIFFRACTION35((chain YA and resid 2297:2321) or (chain YF and resid 1:177) or (chain ZT and resid 2304))Y0
36X-RAY DIFFRACTION36((chain YB and (resid 2:69 or resid 108:119)) or (chain YO and resid 2:117))Y0
37X-RAY DIFFRACTION37((chain YB and resid 70:107) or (chain YV and resid 1:94) or (chain ZT and resid 6095:6100))Y0
38X-RAY DIFFRACTION38(chain YH and resid 49:149)Y0

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