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- PDB-6byu: X-ray crystal structure of Escherichia coli RNA polymerase (RpoB-... -

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Basic information

Entry
Database: PDB / ID: 6byu
TitleX-ray crystal structure of Escherichia coli RNA polymerase (RpoB-H526Y) and ppApp complex
Components
  • (DNA-directed RNA polymerase subunit ...) x 4
  • RNA polymerase sigma factor RpoD
Keywordstransferase/transferase inhibitor / RNA polymerase / ppApp / Escherichia coli X-ray structure / transferase-transferase inhibitor complex
Function / homology
Function and homology information


sigma factor antagonist complex / RNA polymerase complex / submerged biofilm formation / cellular response to cell envelope stress / regulation of DNA-templated transcription initiation / sigma factor activity / bacterial-type flagellum assembly / bacterial-type RNA polymerase core enzyme binding / cytosolic DNA-directed RNA polymerase complex / bacterial-type flagellum-dependent cell motility ...sigma factor antagonist complex / RNA polymerase complex / submerged biofilm formation / cellular response to cell envelope stress / regulation of DNA-templated transcription initiation / sigma factor activity / bacterial-type flagellum assembly / bacterial-type RNA polymerase core enzyme binding / cytosolic DNA-directed RNA polymerase complex / bacterial-type flagellum-dependent cell motility / nitrate assimilation / regulation of DNA-templated transcription elongation / transcription elongation factor complex / transcription antitermination / cell motility / DNA-templated transcription initiation / ribonucleoside binding / DNA-directed RNA polymerase / DNA-directed RNA polymerase activity / response to heat / protein-containing complex assembly / intracellular iron ion homeostasis / protein dimerization activity / response to antibiotic / negative regulation of DNA-templated transcription / magnesium ion binding / DNA binding / zinc ion binding / membrane / cytoplasm / cytosol
Similarity search - Function
RNA polymerase sigma factor 70, non-essential domain / Sigma-70, non-essential region / RNA polymerase sigma factor 70, region 1.1 / Sigma-70 factor, region 1.1 superfamily / Sigma-70 factor, region 1.1 / RNA polymerase subunit, RPB6/omega / Eukaryotic RPB6 RNA polymerase subunit / RNA polymerase Rpb1 funnel domain / RNA polymerase, RBP11-like subunit / Sigma-70 factors family signature 1. ...RNA polymerase sigma factor 70, non-essential domain / Sigma-70, non-essential region / RNA polymerase sigma factor 70, region 1.1 / Sigma-70 factor, region 1.1 superfamily / Sigma-70 factor, region 1.1 / RNA polymerase subunit, RPB6/omega / Eukaryotic RPB6 RNA polymerase subunit / RNA polymerase Rpb1 funnel domain / RNA polymerase, RBP11-like subunit / Sigma-70 factors family signature 1. / Topoisomerase I; Chain A, domain 4 / DNA-directed RNA polymerase, insert domain / RNA polymerase sigma factor RpoD, C-terminal / RNA polymerase sigma factor RpoD / RNA Polymerase Alpha Subunit; Chain A, domain 2 / : / RNA polymerase sigma-70 region 1.2 / Sigma-70 factor, region 1.2 / RNA polymerase sigma-70 region 3 / Sigma-70 region 3 / Sigma-70 factors family signature 2. / RNA polymerase sigma-70 / RNA polymerase sigma-70 region 4 / Sigma-70, region 4 / RNA polymerase sigma-70 region 2 / RNA polymerase sigma-70 like domain / Sigma-70 region 2 / RNA polymerase sigma factor, region 2 / RNA polymerase sigma factor, region 3/4-like / Gyrase A; domain 2 / DNA-directed RNA polymerase, omega subunit / DNA-directed RNA polymerase, subunit beta-prime, bacterial type / DNA-directed RNA polymerase, beta subunit, external 1 domain superfamily / DNA-directed RNA polymerase, beta subunit, external 1 domain / RNA polymerase beta subunit external 1 domain / RNA polymerase, alpha subunit, C-terminal / Bacterial RNA polymerase, alpha chain C terminal domain / DNA-directed RNA polymerase beta subunit, bacterial-type / DNA-directed RNA polymerase, alpha subunit / Beta Complex / DNA-directed RNA polymerase, subunit beta-prime / RNA polymerase Rpb6 / RNA polymerase, subunit omega/Rpo6/RPB6 / RNA polymerase Rpb6 / RNA polymerase Rpb2, domain 2 superfamily / RNA polymerase Rpb1, domain 3 superfamily / RPB6/omega subunit-like superfamily / DNA-directed RNA polymerase, insert domain / DNA-directed RNA polymerase, RpoA/D/Rpb3-type / RNA polymerase Rpb3/RpoA insert domain / RNA polymerase Rpb3/Rpb11 dimerisation domain / RNA polymerases D / RNA polymerase Rpb1, clamp domain superfamily / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 1 / RNA polymerase Rpb1, domain 1 / RNA polymerase, beta subunit, protrusion / RNA polymerase beta subunit / RNA polymerase, alpha subunit / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 4 / RNA polymerase Rpb1, domain 2 / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 4 / DNA-directed RNA polymerase, insert domain superfamily / RNA polymerase, N-terminal / RNA polymerase Rpb2, domain 2 / RNA polymerase Rpb1, funnel domain superfamily / RNA polymerase Rpb2, domain 2 / RNA polymerase I subunit A N-terminus / RNA polymerase, RBP11-like subunit / RNA polymerase, beta subunit, conserved site / RNA polymerase Rpb2, domain 7 / RNA polymerase Rpb2, domain 3 / RNA polymerase Rpb2, OB-fold / RNA polymerase Rpb2, domain 7 / RNA polymerase Rpb2, domain 3 / RNA polymerases beta chain signature. / DNA-directed RNA polymerase, subunit 2, hybrid-binding domain / DNA-directed RNA polymerase, subunit 2 / DNA-directed RNA polymerase, subunit 2, hybrid-binding domain superfamily / RNA polymerase Rpb2, domain 6 / Winged helix-like DNA-binding domain superfamily / Alpha-Beta Complex / 2-Layer Sandwich / Orthogonal Bundle / Mainly Beta / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
Chem-ECJ / RNA polymerase sigma factor RpoD / DNA-directed RNA polymerase subunit alpha / DNA-directed RNA polymerase subunit omega / DNA-directed RNA polymerase subunit beta' / DNA-directed RNA polymerase subunit beta
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.6 Å
AuthorsMurakami, K.S. / Molodtsov, V.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM087350 United States
CitationJournal: Biochim. Biophys. Acta / Year: 2018
Title: Structure-function comparisons of (p)ppApp vs (p)ppGpp for Escherichia coli RNA polymerase binding sites and for rrnB P1 promoter regulatory responses in vitro.
Authors: Bruhn-Olszewska, B. / Molodtsov, V. / Sobala, M. / Dylewski, M. / Murakami, K.S. / Cashel, M. / Potrykus, K.
History
DepositionDec 21, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 17, 2018Provider: repository / Type: Initial release
Revision 1.1Feb 14, 2018Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.2Aug 1, 2018Group: Data collection / Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.3Aug 15, 2018Group: Data collection / Source and taxonomy / Structure summary
Category: entity / entity_src_gen / entity_src_nat / Item: _entity.src_method
Revision 2.0Aug 29, 2018Group: Atomic model / Data collection ...Atomic model / Data collection / Derived calculations / Source and taxonomy / Structure summary
Category: atom_site / entity ...atom_site / entity / entity_src_gen / entity_src_nat / pdbx_nonpoly_scheme / pdbx_struct_conn_angle / struct_asym / struct_conn / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.occupancy / _atom_site.type_symbol / _entity.src_method / _pdbx_nonpoly_scheme.auth_mon_id / _pdbx_nonpoly_scheme.auth_seq_num / _pdbx_nonpoly_scheme.entity_id / _pdbx_nonpoly_scheme.mon_id / _pdbx_nonpoly_scheme.pdb_mon_id / _pdbx_nonpoly_scheme.pdb_seq_num / _pdbx_nonpoly_scheme.pdb_strand_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _struct_asym.entity_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id
Revision 2.1Jan 1, 2020Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 2.2Oct 4, 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 / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _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
Revision 3.0Dec 25, 2024Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / pdbx_entry_details ...atom_site / pdbx_entry_details / pdbx_modification_feature / pdbx_nonpoly_scheme / pdbx_struct_conn_angle / pdbx_validate_close_contact / struct_conn / struct_conn_type / struct_site
Item: _atom_site.auth_asym_id / _atom_site.auth_seq_id ..._atom_site.auth_asym_id / _atom_site.auth_seq_id / _pdbx_nonpoly_scheme.pdb_seq_num / _pdbx_nonpoly_scheme.pdb_strand_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _struct_site.details / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: DNA-directed RNA polymerase subunit alpha
B: DNA-directed RNA polymerase subunit alpha
C: DNA-directed RNA polymerase subunit beta
D: DNA-directed RNA polymerase subunit beta'
E: DNA-directed RNA polymerase subunit omega
F: RNA polymerase sigma factor RpoD
G: DNA-directed RNA polymerase subunit alpha
H: DNA-directed RNA polymerase subunit alpha
I: DNA-directed RNA polymerase subunit beta
J: DNA-directed RNA polymerase subunit beta'
K: DNA-directed RNA polymerase subunit omega
L: RNA polymerase sigma factor RpoD
hetero molecules


Theoretical massNumber of molelcules
Total (without water)921,34020
Polymers919,86412
Non-polymers1,4778
Water00
1
A: DNA-directed RNA polymerase subunit alpha
B: DNA-directed RNA polymerase subunit alpha
C: DNA-directed RNA polymerase subunit beta
D: DNA-directed RNA polymerase subunit beta'
E: DNA-directed RNA polymerase subunit omega
F: RNA polymerase sigma factor RpoD
hetero molecules


Theoretical massNumber of molelcules
Total (without water)460,67010
Polymers459,9326
Non-polymers7384
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area38440 Å2
ΔGint-182 kcal/mol
Surface area150870 Å2
MethodPISA
2
G: DNA-directed RNA polymerase subunit alpha
H: DNA-directed RNA polymerase subunit alpha
I: DNA-directed RNA polymerase subunit beta
J: DNA-directed RNA polymerase subunit beta'
K: DNA-directed RNA polymerase subunit omega
L: RNA polymerase sigma factor RpoD
hetero molecules


Theoretical massNumber of molelcules
Total (without water)460,67010
Polymers459,9326
Non-polymers7384
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area37880 Å2
ΔGint-179 kcal/mol
Surface area150190 Å2
MethodPISA
Unit cell
Length a, b, c (Å)186.254, 203.656, 308.322
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

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DNA-directed RNA polymerase subunit ... , 4 types, 10 molecules ABGHCIDJEK

#1: Protein
DNA-directed RNA polymerase subunit alpha / RNAP subunit alpha / RNA polymerase subunit alpha / Transcriptase subunit alpha


Mass: 36558.680 Da / Num. of mol.: 4 / Mutation: H526Y
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli / Strain: K12 / Production host: Escherichia coli (strain K12) (bacteria) / Strain (production host): K12 / References: UniProt: P0A7Z4, DNA-directed RNA polymerase
#2: Protein DNA-directed RNA polymerase subunit beta / RNAP subunit beta / RNA polymerase subunit beta / Transcriptase subunit beta


Mass: 150845.906 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli / Strain: K12 / Production host: Escherichia coli (strain K12) (bacteria) / Strain (production host): K12 / References: UniProt: P0A8V2, DNA-directed RNA polymerase
#3: Protein DNA-directed RNA polymerase subunit beta' / RNAP subunit beta' / RNA polymerase subunit beta' / Transcriptase subunit beta'


Mass: 155366.781 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli / Strain: K12 / Production host: Escherichia coli (strain K12) (bacteria) / Strain (production host): K12 / References: UniProt: P0A8T7, DNA-directed RNA polymerase
#4: Protein DNA-directed RNA polymerase subunit omega / RNAP omega subunit / RNA polymerase omega subunit / Transcriptase subunit omega


Mass: 10249.547 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli / Strain: K12 / Production host: Escherichia coli (strain K12) (bacteria) / Strain (production host): K12 / References: UniProt: P0A800, DNA-directed RNA polymerase

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Protein , 1 types, 2 molecules FL

#5: Protein RNA polymerase sigma factor RpoD / Sigma-70


Mass: 70352.242 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli / Strain: K12 / Production host: Escherichia coli (strain K12) (bacteria) / Strain (production host): K12 / References: UniProt: P00579

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Non-polymers , 3 types, 8 molecules

#6: Chemical ChemComp-ECJ / (5R)-5-(6-amino-9H-purin-9-yl)-2-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}methyl)-4-oxo-4,5-dihydrofuran-3-yl trihydrogen diphosphate


Mass: 583.129 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C10H13N5O16P4
#7: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#8: Chemical
ChemComp-ZN / ZINC ION


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

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Details

Has protein modificationY

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Experimental details

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Experiment

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

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Sample preparation

CrystalDensity Matthews: 3.18 Å3/Da / Density % sol: 61.3 %
Crystal growTemperature: 300 K / Method: vapor diffusion
Details: 0.1 M HEPES-HCl (pH 6.7), 0.2 M MgCl2, 30% PEG400, 10 mM DTT

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: CHESS / Beamline: F1 / Wavelength: 0.9179 Å
DetectorType: ADSC QUANTUM 270 / Detector: CCD / Date: Mar 22, 2013
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9179 Å / Relative weight: 1
ReflectionResolution: 3.6→30 Å / Num. obs: 135308 / % possible obs: 100 % / Redundancy: 6 % / Rmerge(I) obs: 0.198 / Rpim(I) all: 0.087 / Rrim(I) all: 0.217 / Χ2: 1.237 / Net I/σ(I): 10
Reflection shellResolution: 3.6→3.66 Å / Redundancy: 6 % / Num. unique obs: 6688 / CC1/2: 0.478 / Rpim(I) all: 0.407 / Χ2: 1.171 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX(1.12_2829)refinement
HKL-2000data reduction
HKL-2000data scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5UAQ

5uaq


Resolution: 3.6→30 Å / SU ML: 0.6 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 37.29
RfactorNum. reflection% reflection
Rfree0.3113 1979 1.48 %
Rwork0.2439 --
obs0.2449 133683 98.54 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 3.6→30 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms54920 0 76 0 54996
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00455829
X-RAY DIFFRACTIONf_angle_d0.77575326
X-RAY DIFFRACTIONf_dihedral_angle_d16.90634557
X-RAY DIFFRACTIONf_chiral_restr0.0468567
X-RAY DIFFRACTIONf_plane_restr0.0059867
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.6003-3.69020.39431350.3459016X-RAY DIFFRACTION96
3.6902-3.78980.38831420.37159407X-RAY DIFFRACTION99
3.7898-3.90110.39961390.34589298X-RAY DIFFRACTION98
3.9011-4.02670.39311410.35699115X-RAY DIFFRACTION97
4.0267-4.17030.39991410.329310X-RAY DIFFRACTION98
4.1703-4.33680.35851390.29669359X-RAY DIFFRACTION99
4.3368-4.53350.34071400.27139334X-RAY DIFFRACTION98
4.5335-4.77160.30671400.24439332X-RAY DIFFRACTION98
4.7716-5.06920.29961400.23869368X-RAY DIFFRACTION99
5.0692-5.45850.31491420.23949483X-RAY DIFFRACTION99
5.4585-6.00380.32041440.24669559X-RAY DIFFRACTION100
6.0038-6.86350.35271430.24359577X-RAY DIFFRACTION100
6.8635-8.61330.28541450.20829672X-RAY DIFFRACTION100
8.6133-30.01640.24091480.17749874X-RAY DIFFRACTION99
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)
12.7082.5354-1.29636.5413-1.71863.98060.2597-0.87290.11790.2562-0.24050.2436-0.4880.2246-0.08151.1369-0.03760.06851.1638-0.09310.91066.0845-72.974739.9279
23.52292.9264-1.75587.2314-0.74021.78820.3898-0.80250.12891.5739-0.51210.3523-0.16530.12160.13231.3349-0.04490.22631.1756-0.08450.7732.2953-74.916839.067
30.73790.02560.1712.80613.4368.6952-0.4061-0.55580.25450.46840.3857-0.2423-0.2682-0.4072-0.09211.6670.32120.98250.969-0.56651.6766-26.802-89.013636.4783
49.07342.5210.39123.0760.90366.34410.2415-0.57320.4765-0.5662-0.68972.26681.206-0.30390.40081.2336-0.1251-0.13771.17340.00051.0148-17.8206-90.318630.5899
53.07560.8841-0.38516.05371.92950.9643-0.1813-0.5925-0.45991.38540.18340.30251.5807-0.5465-0.10372.5659-0.40440.72751.65510.36682.1113-26.4512-124.978436.9224
64.0614-0.97820.09412.37021.25624.0402-0.16670.1064-0.4837-0.0523-0.01980.83820.949-0.76590.20361.6382-0.40760.42141.61230.15031.342-16.762-98.682334.6731
71.58040.9284-0.01723.3054-1.65942.39380.12490.23460.23560.3035-0.4426-0.7809-0.56150.85650.22560.8953-0.1353-0.03411.22350.15631.040538.2197-58.918-8.6969
83.0602-1.286-1.1055.41351.51543.27090.13040.0798-1.164-0.9067-0.2947-0.6870.42350.02720.22041.6851-0.11550.33911.3460.11091.558149.3693-93.348-49.6096
94.42571.2178-2.10547.87621.4286.63930.0045-0.20470.4058-0.49740.1642-0.6328-0.77060.1029-0.07441.14180.00420.09411.340.14841.071442.9287-73.5953-36.3178
100.94710.543-0.04812.9840.01542.17780.1053-0.1321-0.0237-0.0646-0.2141-0.30780.32890.49790.08580.4954-0.0531-0.04231.06110.10690.9334.6025-75.4032-1.726
110.78390.3291-0.08421.79010.2521.46870.1161-0.27490.29190.2065-0.0843-0.0847-0.34340.2165-0.00950.8985-0.17570.01920.93560.02790.94419.1964-64.067917.6004
120.8203-0.0883-0.4141.26590.03912.70140.2935-0.2361-0.0275-0.014-0.2150.3931-0.2575-0.3076-0.08850.4676-0.10790.10630.9349-0.08440.9523-8.4166-76.3108-7.1963
131.74580.8946-0.9491.5293-1.58312.3718-0.19720.4182-0.0663-0.5866-0.17860.0087-0.046-0.25680.37810.76920.09130.00821.0456-0.07740.884-4.0467-63.2581-43.9632
141.4538-0.3610.55780.9325-0.1030.90760.22660.2195-0.5047-0.0806-0.20390.21110.49280.0496-0.04380.8251-0.03290.08580.7883-0.05511.0573-3.1504-102.865-10.6286
155.71363.42492.60854.8930.54825.4879-0.3694-1.3071-0.30991.26970.41231.1560.4122-0.7767-0.25361.28270.08020.04981.4121-0.07152.0488-32.317-88.4544-2.9203
164.5721-5.09212.58295.6249-2.71111.5794-0.2925-1.39921.3061-1.20630.375-0.919-0.0023-0.7205-0.1291.51590.18950.19411.4225-0.14262.1646-51.0149-77.416-16.9127
173.3058-3.17022.62978.9849-2.83712.4533-0.07251.88370.9822-0.8219-0.6788-2.8285-1.04410.82050.84211.88570.18210.57791.61580.44161.398816.7484-43.7298-63.7536
181.79581.092-0.43181.74910.92111.9755-0.4825-0.4379-0.0777-0.714-0.13940.4376-0.6014-0.13690.44992.9710.36580.13271.70010.02362.091-4.297-17.2659-67.3539
194.87750.14780.43917.1481-1.05322.11120.5045-0.3524-2.0119-1.7477-0.14311.478-0.9335-2.3551-0.60472.9615-0.406-0.69512.83530.35673.0928-17.9631-43.6855-82.1116
201.6053-0.0108-0.9973.39250.07722.91220.08180.17670.2728-0.7822-0.15-0.1238-0.79250.18480.14371.2626-0.03220.06340.9150.07291.154510.0509-39.1892-45.9612
216.3751-2.4921-1.46735.011.21671.29520.0711-0.91-2.13490.0676-0.35421.4503-0.0121-0.05790.09671.3525-0.0839-0.07491.2521-0.05281.5762-21.4835-53.4706-8.3881
225.4667-0.6406-0.80158.28831.16965.106-0.2811-1.14191.56051.36610.69050.1065-1.29370.0693-0.38291.90.3434-0.08651.453-0.2241.7345-35.6221-38.2458-2.7879
231.59421.00441.22753.95281.50812.24080.0185-0.8735-0.60820.296-0.18350.64260.3097-1.05890.25191.6288-0.0320.62311.57060.31442.2366-109.6403-142.322-32.1597
242.34841.16742.0027.09357.22069.58651.4539-0.79050.13651.9644-0.3275-0.5841.7661-0.2764-1.02951.9191-0.09780.45561.39320.65871.9823-98.1339-152.1453-29.2735
254.33720.0075-1.30144.92215.66677.81210.57510.5585-0.2168-1.236-1.72680.8001-0.1853-0.4841.07811.76340.15220.75221.19670.08111.989-109.6873-122.3498-21.135
263.38751.71331.6913.76884.014.2570.5094-1.0672-0.72821.0011-0.5959-3.55-0.1635-0.2715-0.10732.34510.0433-0.23131.23570.48222.0329-87.1756-125.4419-9.9078
272.97020.84172.83364.1983-2.83476.1199-0.84351.4868-1.21832.02440.41891.2337-0.85380.05630.63131.5968-0.06610.73961.5585-0.32391.9664-95.3004-116.9933-17.7168
283.78471.24630.32798.6756-0.85954.38040.454-0.20650.90550.6034-1.4314.032-1.8904-0.3690.68442.95770.49570.40521.3588-0.19562.5685-95.3576-87.0213-10.424
293.36960.4531.61244.4145-0.96521.10510.5766-1.20670.75910.8487-0.25940.4301-1.6663-0.0349-0.2053.35810.16910.73441.9552-0.51681.9976-87.8033-88.933-2.1718
300.3717-0.26970.02930.95260.71742.3262-1.22120.0809-0.4714-0.01670.58471.85870.11560.14790.30652.75880.20231.00181.5772-0.82082.963-86.3966-78.9013-1.9989
316.7642-3.20991.30583.00351.46853.8917-0.6975-0.966-1.91521.58511.04341.4783-1.47461.2270.10322.31470.02250.77921.6913-0.04941.8201-98.6634-95.9865-12.1822
324.6405-0.91940.10894.41635.29147.04611.80870.46650.7686-0.2208-0.828-2.3262-0.756-0.9243-0.7392.40210.18070.531.45640.11571.547-84.8209-126.2564-17.7269
338.1339-3.15781.06132.52870.7531.128-0.4823-2.09441.4689-0.30370.6256-0.69190.55350.50670.0933.1564-0.0941.01651.6387-0.11871.852-86.6003-115.5716-10.2213
343.23581.19093.97966.1653-2.33897.43531.027-0.19460.902-0.10380.85110.24850.1659-1.9881-1.56711.7560.21770.78452.35070.05241.6718-101.2535-119.1823-7.3535
355.0356-3.2073-2.89273.18481.81713.5468-0.11660.7176-1.1744-0.7246-0.63031.37920.6517-0.23950.70811.931-0.0465-0.11091.0876-0.0631.4206-79.6545-157.0992-80.3516
363.64471.2476-2.35662.6699-1.27143.7246-0.2159-0.1780.32160.15190.0883-0.3685-0.20330.41610.12451.6893-0.0897-0.08451.2707-0.23781.1853-45.7219-129.0623-103.7597
373.63071.4468-3.36153.0961-2.18872.84230.1590.16-0.06480.60950.02690.3651-0.62730.2355-0.18191.84020.0026-0.12291.2052-0.14361.0386-63.7249-144.3305-90.5001
381.8975-1.7466-1.2037.76852.02662.30890.0451-0.0368-0.008-0.85290.02170.352-0.18860.0016-0.03431.4135-0.0884-0.05721.0852-0.00971.1923-80.3913-134.2091-76.0092
390.73550.0995-0.04253.00231.22522.880.0645-0.1471-0.2645-0.09560.09520.46020.0735-0.491-0.19861.5085-0.09050.12981.13020.11041.7006-93.3492-148.7286-53.0009
404.19970.18410.38282.56920.40773.85470.03250.5075-0.4765-0.34030.5460.57470.4296-0.1179-0.36392.512-0.02020.00731.53620.27571.8858-82.7188-170.241-43.4744
412.63421.3884-1.0482.54540.54640.7279-0.41951.0908-0.1916-1.04930.52710.81240.103-0.9209-0.1022.4395-0.1101-0.17471.83710.33781.6323-99.2657-163.2507-61.5309
422.9570.19750.43121.4651-0.15051.6331-0.2755-0.17170.13370.13630.46930.9383-0.3099-0.6933-0.18451.74980.0290.26771.33170.11041.6113-95.9679-127.7314-49.5982
434.9799-1.2987-4.5851.73651.84954.1464-0.3024-1.2037-0.25760.84860.1587-0.2502-0.10561.2633-0.11881.9596-0.20780.06071.1958-0.01421.1483-45.1257-143.7914-34.4132
443.95540.0434-1.9683.22310.13494.74780.2326-0.3187-0.09750.2107-0.2399-0.3567-0.42070.63880.07861.2215-0.0399-0.02951.1262-0.06050.8327-26.6084-155.8911-57.5565
454.4969-1.7866-2.1760.43020.60492.2782-0.35120.1431-0.6650.45730.24350.22210.03410.11490.16392.0084-0.29020.27081.1424-0.1211.4191-60.0383-145.6958-36.9701
461.2077-1.4750.18453.7043-0.1698-0.1645-0.2421-0.41950.34190.57020.33490.11-0.2592-0.1539-0.12722.3237-0.00690.39531.2604-0.21041.2637-72.724-113.8011-29.4698
471.9134-0.15512.15191.13960.76791.3601-0.23130.13790.8507-0.2514-0.06680.0991-1.18310.50390.27162.2469-0.18040.25911.19440.04041.4896-68.2548-105.7826-57.0055
483.8876-0.6961-0.22062.3963-1.43066.1506-0.01490.48710.98080.0666-0.43770.0749-0.98021.21010.34971.9701-0.5254-0.07481.3565-0.00641.4143-36.9075-107.677-51.6027
492.8384-2.0077-2.03075.27920.7421.61740.1199-0.32130.54260.5412-0.006-0.7407-0.62561.0834-0.01811.6649-0.3312-0.08681.241-0.20141.3139-34.3632-131.9038-42.4803
503.90813.16434.76389.42562.48856.27520.8456-0.3397-1.56470.70740.70180.04981.05120.2341-0.95383.9385-0.6307-1.58631.65210.33362.2512-61.0931-122.5654-18.4942
511.87-2.7912-0.07275.44543.10937.1483-2.1999-2.6427-1.99192.48941.47891.76760.31990.7740.90673.20860.02860.52662.62910.45432.3227-48.8858-126.5341-17.445
526.4761-1.7447-0.30313.60083.23943.1669-1.7717-1.99331.58735.19040.8006-0.03340.34891.711.10213.08570.1277-0.34712.8833-0.41082.4735-57.0967-133.9144-7.3113
532.4459-2.0608-0.19934.56891.41585.3877-0.0676-1.20772.0328-0.5168-0.7553-2.45491.36710.78390.48373.7051.31290.34013.9533-0.73092.9985-53.3288-126.2267-11.2984
542.30951.9275-1.75072.9216-0.9023.20530.13960.64110.444-0.21011.49251.22610.63340.483-1.90663.9714-0.3008-1.03072.91110.35842.8079-36.976-134.6852-3.1115
552.8807-2.46730.55363.50341.45362.56330.38581.1701-1.1405-1.1874-0.72090.59580.36560.2750.55942.81680.10240.58351.9054-0.15231.9051-21.5272-174.0458-84.3483
565.2608-4.54660.19643.66790.0034.69440.5239-0.8840.4736-0.17950.36890.0183-0.626-0.0904-0.92552.9469-0.21270.6581.81060.14242.2559-6.384-196.1469-67.1621
573.65183.77571.02436.15840.35842.1654-0.25490.6153-2.1265-0.8589-1.2168-2.14520.0871-1.3271.32592.7506-0.02350.10023.3108-0.30963.832719.1692-171.5585-61.1205
584.9169-2.8517-1.07253.16370.70722.4816-0.1338-0.4247-0.7892-0.4779-0.3130.0247-0.050.60140.36872.2313-0.19050.20831.42490.10911.4345-20.5019-179.0077-74.0831
593.16950.43232.73632.90410.17623.44560.10780.8899-0.30940.19910.33520.88030.739-0.2247-0.22551.7853-0.15880.27241.546-0.09171.6876-59.8563-177.6837-64.376
602.3073-0.4893-0.25020.4805-1.88068.93590.4178-0.23520.2810.2935-0.2122-0.0341-1.86610.9107-0.05482.2257-0.3305-0.02020.9995-0.01691.3545-52.908-163.2556-23.4181
617.3720.4312-1.5386.5771-0.39257.0837-0.52570.0899-0.66521.09340.2131-0.07391.55570.37110.30272.0135-0.21810.14071.42690.09071.9049-51.3801-177.4228-9.2228
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 7:119 )A7 - 119
2X-RAY DIFFRACTION2( CHAIN A AND RESID 120:232 )A120 - 232
3X-RAY DIFFRACTION3( CHAIN A AND RESID 233:234 )A233 - 234
4X-RAY DIFFRACTION4( CHAIN B AND RESID 6:49 )B6 - 49
5X-RAY DIFFRACTION5( CHAIN B AND RESID 50:150 )B50 - 150
6X-RAY DIFFRACTION6( CHAIN B AND RESID 151:233 )B151 - 233
7X-RAY DIFFRACTION7( CHAIN C AND RESID 3:158 )C3 - 158
8X-RAY DIFFRACTION8( CHAIN C AND RESID 159:358 )C159 - 358
9X-RAY DIFFRACTION9( CHAIN C AND RESID 359:437 )C359 - 437
10X-RAY DIFFRACTION10( CHAIN C AND RESID 438:767 )C438 - 767
11X-RAY DIFFRACTION11( CHAIN C AND RESID 768:1210 )C768 - 1210
12X-RAY DIFFRACTION12( CHAIN C AND RESID 1211:1342 )C1211 - 1342
13X-RAY DIFFRACTION13( CHAIN D AND RESID 8:354 )D8 - 354
14X-RAY DIFFRACTION14( CHAIN D AND RESID 355:1376 )D355 - 1376
15X-RAY DIFFRACTION15( CHAIN E AND RESID 2:60 )E2 - 60
16X-RAY DIFFRACTION16( CHAIN E AND RESID 61:90 )E61 - 90
17X-RAY DIFFRACTION17( CHAIN F AND RESID 95:135 )F95 - 135
18X-RAY DIFFRACTION18( CHAIN F AND RESID 136:262 )F136 - 262
19X-RAY DIFFRACTION19( CHAIN F AND RESID 263:333 )F263 - 333
20X-RAY DIFFRACTION20( CHAIN F AND RESID 334:510 )F334 - 510
21X-RAY DIFFRACTION21( CHAIN F AND RESID 511:562 )F511 - 562
22X-RAY DIFFRACTION22( CHAIN F AND RESID 563:612 )F563 - 612
23X-RAY DIFFRACTION23( CHAIN G AND RESID 8:138 )G8 - 138
24X-RAY DIFFRACTION24( CHAIN G AND RESID 139:179 )G139 - 179
25X-RAY DIFFRACTION25( CHAIN G AND RESID 180:231 )G180 - 231
26X-RAY DIFFRACTION26( CHAIN H AND RESID 6:34 )H6 - 34
27X-RAY DIFFRACTION27( CHAIN H AND RESID 35:49 )H35 - 49
28X-RAY DIFFRACTION28( CHAIN H AND RESID 50:69 )H50 - 69
29X-RAY DIFFRACTION29( CHAIN H AND RESID 70:133 )H70 - 133
30X-RAY DIFFRACTION30( CHAIN H AND RESID 134:145 )H134 - 145
31X-RAY DIFFRACTION31( CHAIN H AND RESID 146:179 )H146 - 179
32X-RAY DIFFRACTION32( CHAIN H AND RESID 180:197 )H180 - 197
33X-RAY DIFFRACTION33( CHAIN H AND RESID 198:212 )H198 - 212
34X-RAY DIFFRACTION34( CHAIN H AND RESID 213:234 )H213 - 234
35X-RAY DIFFRACTION35( CHAIN I AND RESID 3:158 )I3 - 158
36X-RAY DIFFRACTION36( CHAIN I AND RESID 159:408 )I159 - 408
37X-RAY DIFFRACTION37( CHAIN I AND RESID 409:481 )I409 - 481
38X-RAY DIFFRACTION38( CHAIN I AND RESID 482:688 )I482 - 688
39X-RAY DIFFRACTION39( CHAIN I AND RESID 689:863 )I689 - 863
40X-RAY DIFFRACTION40( CHAIN I AND RESID 864:979 )I864 - 979
41X-RAY DIFFRACTION41( CHAIN I AND RESID 980:1084 )I980 - 1084
42X-RAY DIFFRACTION42( CHAIN I AND RESID 1085:1271 )I1085 - 1271
43X-RAY DIFFRACTION43( CHAIN I AND RESID 1272:1342 )I1272 - 1342
44X-RAY DIFFRACTION44( CHAIN J AND RESID 16:307 )J16 - 307
45X-RAY DIFFRACTION45( CHAIN J AND RESID 308:405 )J308 - 405
46X-RAY DIFFRACTION46( CHAIN J AND RESID 406:649 )J406 - 649
47X-RAY DIFFRACTION47( CHAIN J AND RESID 650:854 )J650 - 854
48X-RAY DIFFRACTION48( CHAIN J AND RESID 855:1301 )J855 - 1301
49X-RAY DIFFRACTION49( CHAIN J AND RESID 1302:1375 )J1302 - 1375
50X-RAY DIFFRACTION50( CHAIN K AND RESID 2:6 )K2 - 6
51X-RAY DIFFRACTION51( CHAIN K AND RESID 7:31 )K7 - 31
52X-RAY DIFFRACTION52( CHAIN K AND RESID 32:45 )K32 - 45
53X-RAY DIFFRACTION53( CHAIN K AND RESID 46:60 )K46 - 60
54X-RAY DIFFRACTION54( CHAIN K AND RESID 61:80 )K61 - 80
55X-RAY DIFFRACTION55( CHAIN L AND RESID 94:135 )L94 - 135
56X-RAY DIFFRACTION56( CHAIN L AND RESID 136:292 )L136 - 292
57X-RAY DIFFRACTION57( CHAIN L AND RESID 293:333 )L293 - 333
58X-RAY DIFFRACTION58( CHAIN L AND RESID 334:446 )L334 - 446
59X-RAY DIFFRACTION59( CHAIN L AND RESID 447:510 )L447 - 510
60X-RAY DIFFRACTION60( CHAIN L AND RESID 511:562 )L511 - 562
61X-RAY DIFFRACTION61( CHAIN L AND RESID 563:613 )L563 - 613

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