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- PDB-7s01: X-ray structure of the phage AR9 non-virion RNA polymerase holoen... -

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Basic information

Entry
Database: PDB / ID: 7s01
TitleX-ray structure of the phage AR9 non-virion RNA polymerase holoenzyme in complex with a forked oligonucleotide containing the P077 promoter
Components
  • (DNA-directed RNA ...) x 5
  • Non-template strand of the forked DNA oligonucleotide (downstream copy)
  • Template strand of the forked DNA oligonucleotide (downstream copy) containing the P077 AR9 promoter motif
KeywordsTRANSCRIPTION/DNA / DNA-dependent multisubunit RNA polymerase / sigma factor / deoxyuridine / template strand promoter / RNAP / TRANSCRIPTION / TRANSCRIPTION-DNA complex
Function / homology
Function and homology information


DNA-directed RNA polymerase complex / ribonucleoside binding / DNA-directed RNA polymerase / DNA-directed RNA polymerase activity / DNA-templated transcription / DNA binding / metal ion binding
Similarity search - Function
RNA polymerase Rpb1 funnel domain / Topoisomerase I; Chain A, domain 4 / DNA-directed RNA polymerase, subunit beta-prime / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 5 / RNA polymerase, N-terminal / RNA polymerase Rpb1, funnel domain superfamily / RNA polymerase I subunit A N-terminus / DNA-directed RNA polymerase, subunit 2, hybrid-binding domain / DNA-directed RNA polymerase, subunit 2 ...RNA polymerase Rpb1 funnel domain / Topoisomerase I; Chain A, domain 4 / DNA-directed RNA polymerase, subunit beta-prime / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 5 / RNA polymerase, N-terminal / RNA polymerase Rpb1, funnel domain superfamily / RNA polymerase I subunit A N-terminus / 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 / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
DNA / DNA (> 10) / DNA-directed RNA polymerase / DNA-directed RNA polymerase beta subunit / DNA-directed RNA polymerase / DNA-directed RNA polymerase subunit / DNA-directed RNA polymerase
Similarity search - Component
Biological speciesBacillus phage AR9 (virus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.4 Å
AuthorsLeiman, P.G. / Sokolova, M.L. / Gordeeva, J. / Fraser, A. / Severinov, K.V.
Funding support1items
OrganizationGrant numberCountry
Not fundedFunded by UTMB
CitationJournal: Nat Commun / Year: 2022
Title: Structural basis of template strand deoxyuridine promoter recognition by a viral RNA polymerase.
Authors: Alec Fraser / Maria L Sokolova / Arina V Drobysheva / Julia V Gordeeva / Sergei Borukhov / John Jumper / Konstantin V Severinov / Petr G Leiman /
Abstract: Recognition of promoters in bacterial RNA polymerases (RNAPs) is controlled by sigma subunits. The key sequence motif recognized by the sigma, the -10 promoter element, is located in the non-template ...Recognition of promoters in bacterial RNA polymerases (RNAPs) is controlled by sigma subunits. The key sequence motif recognized by the sigma, the -10 promoter element, is located in the non-template strand of the double-stranded DNA molecule ~10 nucleotides upstream of the transcription start site. Here, we explain the mechanism by which the phage AR9 non-virion RNAP (nvRNAP), a bacterial RNAP homolog, recognizes the -10 element of its deoxyuridine-containing promoter in the template strand. The AR9 sigma-like subunit, the nvRNAP enzyme core, and the template strand together form two nucleotide base-accepting pockets whose shapes dictate the requirement for the conserved deoxyuridines. A single amino acid substitution in the AR9 sigma-like subunit allows one of these pockets to accept a thymine thus expanding the promoter consensus. Our work demonstrates the extent to which viruses can evolve host-derived multisubunit enzymes to make transcription of their own genes independent of the host.
History
DepositionAug 28, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 6, 2022Provider: repository / Type: Initial release
Revision 1.1Apr 3, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 2.0May 29, 2024Group: Advisory / Atomic model ...Advisory / Atomic model / Author supporting evidence / Data collection / Derived calculations / Non-polymer description / Other / Refinement description / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / cell / chem_comp / chem_comp_atom / chem_comp_bond / entity / ndb_struct_na_base_pair / ndb_struct_na_base_pair_step / pdbx_entity_instance_feature / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_poly_seq_scheme / pdbx_refine_tls / pdbx_refine_tls_group / pdbx_struct_assembly_gen / pdbx_struct_conn_angle / pdbx_unobs_or_zero_occ_atoms / pdbx_unobs_or_zero_occ_residues / pdbx_validate_close_contact / pdbx_validate_torsion / refine / refine_hist / refine_ls_restr / refine_ls_shell / reflns / reflns_shell / struct_asym / struct_conn / struct_conn_type / struct_mon_prot_cis / symmetry
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.group_PDB / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.label_seq_id / _atom_site.type_symbol / _atom_site_anisotrop.U[1][1] / _atom_site_anisotrop.U[1][2] / _atom_site_anisotrop.U[1][3] / _atom_site_anisotrop.U[2][2] / _atom_site_anisotrop.U[2][3] / _atom_site_anisotrop.U[3][3] / _atom_site_anisotrop.id / _atom_site_anisotrop.pdbx_auth_asym_id / _atom_site_anisotrop.pdbx_auth_atom_id / _atom_site_anisotrop.pdbx_auth_comp_id / _atom_site_anisotrop.pdbx_auth_seq_id / _atom_site_anisotrop.pdbx_label_asym_id / _atom_site_anisotrop.pdbx_label_atom_id / _atom_site_anisotrop.pdbx_label_comp_id / _atom_site_anisotrop.pdbx_label_seq_id / _atom_site_anisotrop.type_symbol / _cell.angle_beta / _cell.volume / _chem_comp.formula / _chem_comp.formula_weight / _chem_comp.id / _chem_comp.mon_nstd_flag / _chem_comp.name / _chem_comp.pdbx_synonyms / _chem_comp.type / _pdbx_poly_seq_scheme.auth_mon_id / _pdbx_poly_seq_scheme.auth_seq_num / _pdbx_poly_seq_scheme.pdb_mon_id / _pdbx_refine_tls.L[1][1] / _pdbx_refine_tls.L[1][2] / _pdbx_refine_tls.L[1][3] / _pdbx_refine_tls.L[2][2] / _pdbx_refine_tls.L[2][3] / _pdbx_refine_tls.L[3][3] / _pdbx_refine_tls.S[1][1] / _pdbx_refine_tls.S[1][2] / _pdbx_refine_tls.S[1][3] / _pdbx_refine_tls.S[2][1] / _pdbx_refine_tls.S[2][2] / _pdbx_refine_tls.S[2][3] / _pdbx_refine_tls.S[3][1] / _pdbx_refine_tls.S[3][2] / _pdbx_refine_tls.S[3][3] / _pdbx_refine_tls.T[1][1] / _pdbx_refine_tls.T[1][2] / _pdbx_refine_tls.T[1][3] / _pdbx_refine_tls.T[2][2] / _pdbx_refine_tls.T[2][3] / _pdbx_refine_tls.T[3][3] / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.value / _refine.B_iso_mean / _refine.ls_R_factor_R_free / _refine.ls_R_factor_R_work / _refine.ls_R_factor_obs / _refine.ls_number_reflns_R_work / _refine.ls_percent_reflns_obs / _refine.pdbx_overall_phase_error / _refine.pdbx_stereochemistry_target_values / _refine_hist.pdbx_number_atoms_ligand / _refine_hist.pdbx_number_atoms_nucleic_acid / _refine_ls_restr.dev_ideal / _refine_ls_restr.number / _refine_ls_restr.type / _refine_ls_shell.percent_reflns_obs / _reflns.pdbx_CC_half / _reflns.pdbx_Rrim_I_all / _reflns.percent_possible_obs / _struct_mon_prot_cis.pdbx_omega_angle / _symmetry.space_group_name_Hall
Revision 2.1Feb 12, 2025Group: Refinement description / Structure summary
Category: pdbx_entry_details / pdbx_refine_tls / pdbx_refine_tls_group
Item: _pdbx_entry_details.has_protein_modification / _pdbx_refine_tls.L[1][1] ..._pdbx_entry_details.has_protein_modification / _pdbx_refine_tls.L[1][1] / _pdbx_refine_tls.L[1][2] / _pdbx_refine_tls.L[1][3] / _pdbx_refine_tls.L[2][2] / _pdbx_refine_tls.L[2][3] / _pdbx_refine_tls.L[3][3] / _pdbx_refine_tls.S[1][1] / _pdbx_refine_tls.S[1][2] / _pdbx_refine_tls.S[1][3] / _pdbx_refine_tls.S[2][1] / _pdbx_refine_tls.S[2][2] / _pdbx_refine_tls.S[2][3] / _pdbx_refine_tls.S[3][1] / _pdbx_refine_tls.S[3][2] / _pdbx_refine_tls.S[3][3] / _pdbx_refine_tls.T[1][1] / _pdbx_refine_tls.T[1][2] / _pdbx_refine_tls.T[1][3] / _pdbx_refine_tls.T[2][2] / _pdbx_refine_tls.T[2][3] / _pdbx_refine_tls.T[3][3] / _pdbx_refine_tls_group.beg_auth_asym_id / _pdbx_refine_tls_group.beg_auth_seq_id / _pdbx_refine_tls_group.end_auth_asym_id / _pdbx_refine_tls_group.end_auth_seq_id / _pdbx_refine_tls_group.selection_details

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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
d: DNA-directed RNA polymerase beta' subunit
c: DNA-directed RNA polymerase beta subunit
D: DNA-directed RNA polymerase
C: DNA-directed RNA polymerase
N: Non-template strand of the forked DNA oligonucleotide (downstream copy)
T: Template strand of the forked DNA oligonucleotide (downstream copy) containing the P077 AR9 promoter motif
t: Non-template strand of the forked DNA oligonucleotide (downstream copy)
n: Template strand of the forked DNA oligonucleotide (downstream copy) containing the P077 AR9 promoter motif
hetero molecules


Theoretical massNumber of molelcules
Total (without water)340,70810
Polymers340,6429
Non-polymers651
Water00
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: microscopy, The molecule is a monomer in cryo-EM.
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)176.925, 110.455, 222.379
Angle α, β, γ (deg.)90.00, 98.52, 90.00
Int Tables number5
Space group name H-MC121
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z

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Components

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DNA-directed RNA ... , 5 types, 5 molecules AdcDC

#1: Protein DNA-directed RNA polymerase subunit


Mass: 54917.449 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bacillus phage AR9 (virus) / Gene: AR9_g226 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): Star (DE3) / References: UniProt: A0A172JIC8
#2: Protein DNA-directed RNA polymerase beta' subunit


Mass: 49397.164 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bacillus phage AR9 (virus) / Gene: AR9_g270 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): Star (DE3) / References: UniProt: A0A172JIH0
#3: Protein DNA-directed RNA polymerase beta subunit


Mass: 58112.289 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bacillus phage AR9 (virus) / Gene: AR9_g105 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): Star (DE3) / References: UniProt: A0A172JI16
#4: Protein DNA-directed RNA polymerase


Mass: 73100.977 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bacillus phage AR9 (virus) / Gene: AR9_g154 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): Star (DE3)
References: UniProt: A0A172JI62, DNA-directed RNA polymerase
#5: Protein DNA-directed RNA polymerase


Mass: 76978.383 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bacillus phage AR9 (virus) / Gene: AR9_g089 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): Star (DE3)
References: UniProt: A0A172JHZ2, DNA-directed RNA polymerase

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DNA chain , 2 types, 4 molecules NtTn

#6: DNA chain Non-template strand of the forked DNA oligonucleotide (downstream copy)


Mass: 4303.829 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Bacillus phage AR9 (virus)
#7: DNA chain Template strand of the forked DNA oligonucleotide (downstream copy) containing the P077 AR9 promoter motif


Mass: 9764.241 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Bacillus phage AR9 (virus)

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Non-polymers , 1 types, 1 molecules

#8: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Zn

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Details

Has ligand of interestY
Has protein modificationN

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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: 3.25 Å3/Da / Density % sol: 62.16 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5
Details: 1.5 ul aliquot of the AR9 nvRNAP promoter complex (10 mg/mL) was mixed with the same volume of a solution containing 150 mM MIB pH 5, 150 mM LiCl, 13 % PEG 1500 and incubated as a hanging ...Details: 1.5 ul aliquot of the AR9 nvRNAP promoter complex (10 mg/mL) was mixed with the same volume of a solution containing 150 mM MIB pH 5, 150 mM LiCl, 13 % PEG 1500 and incubated as a hanging drop over the same solution.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-D / Wavelength: 0.9184 Å
DetectorType: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Jun 13, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9184 Å / Relative weight: 1
ReflectionResolution: 3.38→50 Å / Num. obs: 59745 / % possible obs: 94 % / Observed criterion σ(I): 1.2 / Redundancy: 2.88 % / Biso Wilson estimate: 111.6 Å2 / Net I/σ(I): 7.94
Reflection shellResolution: 3.38→3.58 Å / Redundancy: 2.58 % / Mean I/σ(I) obs: 1.2 / % possible all: 83.9

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Processing

Software
NameVersionClassification
PHENIX1.19.2_4158refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
Coot0.9.5model building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: EMD-24763

Resolution: 3.4→49.35 Å / SU ML: 0.615 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 34.627
Stereochemistry target values: GEOSTD + MONOMER LIBRARY + CDL V1.2
RfactorNum. reflection% reflection
Rfree0.293 2830 5 %
Rwork0.239 --
obs0.242 56644 96.9 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 133 Å2
Refinement stepCycle: LAST / Resolution: 3.4→49.35 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms21749 1595 1 0 23345
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00223927
X-RAY DIFFRACTIONf_angle_d0.46932595
X-RAY DIFFRACTIONf_dihedral_angle_d15.4483674
X-RAY DIFFRACTIONf_chiral_restr0.0383632
X-RAY DIFFRACTIONf_plane_restr0.0043914
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.4-3.460.49341340.42062561X-RAY DIFFRACTION93
3.46-3.520.37611410.33822683X-RAY DIFFRACTION98
3.52-3.590.38361420.31532701X-RAY DIFFRACTION97
3.59-3.660.37711410.30622661X-RAY DIFFRACTION97
3.67-3.740.41931410.31562703X-RAY DIFFRACTION97
3.74-3.830.31161410.28692671X-RAY DIFFRACTION97
3.83-3.930.34651340.2872559X-RAY DIFFRACTION94
3.93-4.030.3021360.26862590X-RAY DIFFRACTION93
4.03-4.150.35741430.2782730X-RAY DIFFRACTION99
4.15-4.290.32531440.27962738X-RAY DIFFRACTION99
4.29-4.440.31731440.2742731X-RAY DIFFRACTION99
4.44-4.620.28891440.23092735X-RAY DIFFRACTION99
4.62-4.830.29591440.21722728X-RAY DIFFRACTION98
4.83-5.080.28391420.2242705X-RAY DIFFRACTION98
5.08-5.40.27431440.22722730X-RAY DIFFRACTION98
5.4-5.820.32821450.25112750X-RAY DIFFRACTION98
5.82-6.40.30061420.24032699X-RAY DIFFRACTION98
6.4-7.320.33281420.23692710X-RAY DIFFRACTION96
7.32-9.220.20671400.17912652X-RAY DIFFRACTION95
9.22-49.350.19791460.16782777X-RAY DIFFRACTION96
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)
11.986024536320.03874648870580.4882302833665.184223147871.461277198332.358438148070.172988731530.000885805923240.04849854066060.6464430077080.0298200749804-0.137533822401-0.203181098538-0.0466618938385-0.155725373920.976061480106-0.02383405396920.3291115865151.201691426560.1150720765241.22459577447-4.4240.32997.333
22.720115058232.51389798917-1.922052535635.60115528489-1.028356404823.52630457283-0.466586089816-0.200799965642-0.171904656128-0.1320960338140.322755235445-0.4414477883290.2983715899050.1224263331370.07658537927620.568884673180.253920414619-0.02823457309851.206842596910.08563583917351.193696748898.11231.11669.546
32.1970174787-0.4962937466492.468806263552.911735008220.8101841576637.21878410532-0.173126828351-0.3898750482390.3605027856940.3779858658570.1017382113690.0345486529587-1.229429777480.2156444122830.08428274090711.00085671006-0.0242976900694-0.251428513170.841276901618-0.1467433582981.4954512163546.23578.39254.146
45.23098560804-1.94108932718-4.594320619237.38699628842.762411607154.375060771120.3907183877290.2769082543730.1151045687441.03833234811-0.1928461628270.956606063099-0.313873799849-0.0334047002332-0.1099958441270.8651821548450.137402855875-0.1420119464970.9886049629690.04349382821560.86228938323932.34838.45172.371
58.30444403691-0.00539566964159-3.210824972960.2566343366110.6098833561242.73977781715-0.561443549101-0.433324244314-0.9099279179240.136357574040.1436466512640.1527574940250.536954262160.1931093988730.3631266294781.019939214670.314878621125-0.1565791843930.8969265283060.08966348604240.9854332683323.41420.90378.983
62.835093265710.680019339151-2.255862927834.03568136236-0.1212637433173.00078597533-0.336323367639-0.649946057779-0.05349124924570.3724729035660.2809154672880.07706390814780.232726093047-0.0282647698829-0.01390186956790.607890027060.276156023586-0.05917183244531.182080645470.08281338005331.1388050861426.24324.45673.931
71.5737160746-0.471714830516-1.188372044360.6972730703030.7224255350651.51400100467-0.126920642712-0.2388747821570.1082250595730.0397787710582-0.0106630153881-0.2182602916890.1084889570760.218114607680.1394215947790.4646615999710.213148932522-0.1919328246710.94156983750.05030258473231.2921478213455.38235.2632.631
80.1442457873180.303314025789-0.2710975360340.830173444466-0.3669208875530.7849973573090.08579302502020.181383937007-0.1306948150990.259785164719-0.04872823868820.360577140953-0.148710409299-0.08114536227840.03417383914810.4678484322810.172701227386-0.2895576185371.23161184982-0.04316359212931.446074597811.64129.09223.502
90.8706595575771.43872533539-0.5748334816845.49968902396-1.334661866960.8966687453680.119465525502-0.226297438292-0.1584155204130.359305961879-0.0855999617088-0.0699510217434-0.146465913045-0.290135653201-0.03582723964450.4499158810180.0784270565629-0.137784653771.064912992220.06837922103461.307472268524.51917.83941.191
102.712130295471.06145478329-3.167672923928.88218023852-1.918012949977.666702798550.180948692193-0.5759184226930.03321977390270.7712541292010.3043823083771.024337386260.293435261363-0.777669068612-0.4803675207330.749600916608-0.100698951511-0.0866527247651.201649105990.03937024443811.30470043286-4.295-8.95850.896
111.043636707710.0521122080705-0.3563179244720.855202633459-0.3463349521951.881028187110.00334763889597-0.206551320347-0.07939692897920.277220859752-0.1775848005150.06994139110820.0330616365633-0.1483585358940.2107480521930.479733903653-0.0470183310448-0.02865402525450.8446073541210.04883863937561.205333698536.94722.35839.6
122.892192822580.575954108332-2.61000792816.254576618210.1853356399976.10081391543-0.44620922791-0.368423269057-0.7274562285040.0240081323933-0.00216926242449-0.2151862819970.516098905155-0.1218811464260.3292427134980.5534746171430.0696349414080.08051492388510.6514111922460.07061313166421.2041921354214.11910.99925.796
132.656423553261.658553533522.173057829521.306126669441.103983973935.16476966336-0.03609436739830.4093801530570.202918272929-0.17173238282-0.219457540144-0.6434044110760.2421577989460.4228499379230.2338277300380.5330368630390.1713614536450.06067509818761.103676604450.1145713010551.5802676112375.59320.1636.027
143.394320950980.943802405614-2.124140082030.255855834384-0.5832781141311.453344023590.1402454014740.1926338277050.0318748310226-0.17704915202-0.308473511051-0.5381615797720.5659906283520.6718893846910.02628571936440.5634240931230.344372486122-0.2148228139131.10002751733-0.01436198511221.3534907548373.13418.48121.18
154.856131104612.58980211036-3.500603664432.56901025511-1.466711470083.1104521321-0.3903605741530.00619896835766-0.603694143334-0.3049095253570.000299742289292-0.3620095313890.6249314527840.2708224974990.3256382900660.707863794370.156527082266-0.1160318618540.6729127726010.01779694118721.1892984653342.8681.436.663
163.77461592907-0.1413796376434.989113315560.751676389630.8695074388678.05729257012-0.516285805009-0.04288930454070.001718089389260.275403724067-0.2160539955450.3952523391250.4987930885950.5322352014950.6567839582730.7946077683860.1175010187420.0264398324390.7133968394930.2099099662461.2381665756837.3810.62533.549
172.23074831838-2.8652259498-0.111625458155.51856462171-0.5651614223280.572857556561-0.274946033094-0.174508378575-0.582870319170.09340505971660.0469500705928-0.4195181742170.757589923410.6445215188580.1227411908380.9935670372320.5653259404730.2048914573661.176305033450.3588698120151.7275827815166.0222.30643.69
183.238023136421.26760436758-0.5033177388945.696524461260.07904688440786.29990747872-0.111914214881-0.726854035178-0.04803769456340.2412932377810.1076192026010.6649241995290.2913239875170.002100838925490.02874989682110.6314869209950.158976846512-0.03629624014240.867719694340.06693938110111.5727853211721.075-21.69223.72
195.045772017963.550109644493.701711688013.303001254313.471159062993.63788332776-0.298268280898-0.177689742883-0.588041045794-0.2472770530850.56650761501-0.0222214355803-0.3911836469670.128773936148-0.2446962646420.8212275594410.04481881332810.223064405731.059975282590.1855918034781.5692915262832.457-10.75631.886
202.230817927120.123746933217-1.6974702641.093147503640.8423835668682.06956849728-0.31345220813-0.585685079719-0.6764662368380.047290663047-0.1206524234380.01937624792011.1024188615-0.00399639590920.2455636183841.328854070830.4004126714910.2352583500210.9562397055790.2897804007241.4052570806452.7196.06655.35
213.546922054214.829042595110.4297433384699.245076332153.170431709662.67565160737-0.139536407015-0.158698921528-0.1466737214370.382772599289-0.2549999417410.6799427803030.6945823641020.1645701986650.3545915154010.6081457368050.133123171863-0.1630422236590.6849772829170.01802833329011.3770060469924.3611.75812.553
221.91917741128-2.85453330371-1.68292163954.541011843762.079956414042.03153491093-0.1438263890330.22242092733-0.06131949987620.1470333885120.1109109536690.2778685048620.3855084265290.2500853075330.01496262708760.432259127770.0342023793557-0.1262266619280.8894422429610.1515997492581.1202083083913.51643.09910.69
230.601073712945-0.653922256302-0.2642197107883.646191027341.94416025763.17250332407-0.0105168307833-0.024426455780.331166085733-0.2311532167890.0381356564150.161935682661-0.533944383065-0.100920174052-0.0123501921110.3662136555350.0216246690969-0.1907504427260.724278187790.07011684963081.1476995496935.36652.03724.603
241.2248607194-0.457942978182-0.2307084985021.569813227030.2069493105951.474640054290.03224571755390.07624243452650.163326201464-0.02541834437460.0122742866761-0.0436125313747-0.182821734147-0.0388853671067-0.05279641035950.3471328707630.0546648445801-0.1783685392890.6837388039930.1118462577161.1176632108425.48243.36415.005
251.406688294430.30828933239-0.5739701460211.67743504493-0.202995922645.29272447116-0.1166020684550.3800882630090.0395389651633-0.6547982840720.08959570440340.2226985503160.416798576119-0.2944749486380.08355121315590.5077399239150.0660834606756-0.1332408908820.955615482446-0.06973918536811.1552574897330.33222.433-10.035
260.452728023505-0.2826969732990.2201452697210.391278510193-0.1890871996620.154367191122-0.008178384597570.109623787980.1822630426850.2329424834670.256751002508-0.298643040812-0.0851422627908-0.06907803603850.5010268107710.1632021967710.227557798528-0.4080614930630.704439479890.03306039062621.3879349640341.76833.69720.12
271.15727662151-0.962747778601-0.24110755413.16148200914-1.841008259042.5230021037-0.262150675174-0.6803338916330.1434964182380.2962287058360.096684690343-0.16652539436-0.3424305012980.4424684783930.08836525872040.6093336904680.306239588723-0.2159498444291.09333959117-0.1068319503971.0913774526849.0536.90350.739
286.86943318423-2.135698991952.224699015062.015547077920.4631021449767.475393687140.214581968293-1.3515384125-0.2451376321-1.2471652527-0.1273849879190.5536911194221.56050063665-1.80118043568-0.2560660873772.29260924753-0.2563670174690.01069429132472.546353866140.1631994778422.6646111239324.04-2.5258.04
290.825899055016-0.708813578181-1.579009804461.342052557172.203365694953.99926002225-0.0348970735329-0.1535529637770.39753665855-0.09821141976390.300386117458-0.0768655368241-0.0588072156693-0.444985056463-0.2431053397653.52153063922-1.02265561472-1.210555085794.274850165750.1855888093244.512021040221.135-22.58861.499
300.2026739653260.375508290444-0.1453373892711.18148921115-1.040098417642.29743827937-0.6773324259570.71552396961-0.515809957066-1.659935050330.5607780448480.705163339804-0.605934884075-0.3378933012360.1433229249433.60648619577-0.28508066262-0.6007513888172.663467335110.03542375000022.5152998143724.543-15.77166.363
314.229773997-4.2269089379-0.6426754565699.73355227664-1.718225248262.121109894080.356378890326-0.3021168151260.568697871921-0.959332797057-0.0411259602195-1.467304362970.742676494750.239624077729-0.2709382167271.30183141405-0.0351101293006-0.02340617153481.77620799491-0.04148890630651.655374909872022.87150.798
326.25655165991-0.5886774594886.045707737510.0762621468713-0.5652373393356.66298303238-0.2935169293-0.4648020559760.706149865889-0.29497352485-0.0645869019962-0.151514298953-0.137945989372-1.016127410410.3186001779642.06326742359-0.112738762711-0.3854380275284.11494686406-0.6081581685473.10708803021-7.57445.26266.186
331.294445205881.19435350352-0.9187514914842.358702200911.100394593614.35809028799-1.192541880290.08016052516560.875075054929-2.614105840641.1805619644-1.16601815648-2.64662618178-0.154612403752-0.1890982201232.93310406241-0.2558385275250.01136135099151.699232210180.2231524765713.031760469286.75268.4271.668
349.968253449798.776515112662.480181275057.734420687232.198699129210.6329371551032.214206940320.1565555223762.005181916131.64256632637-1.463972397191.221723140710.4377584835930.411420353884-0.7413362647442.46704338692-0.08511066174820.1325446026531.927580108820.05090689473172.91937203810.97774.05571.531
352.341388017634.23441082759-0.570745268798.58619771461-2.989188390924.263387904920.420089547044-0.19847460310.372322095903-1.02106672872-0.5663623508710.3832351693240.1958986180280.5950696588070.1453664651111.288745941690.3052092466720.02141920363542.002887003130.06519639050131.89634280928-3.83336.84774.976
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 2:178 )A2 - 178
2X-RAY DIFFRACTION2( CHAIN A AND RESID 179:295 )A179 - 295
3X-RAY DIFFRACTION3( CHAIN A AND RESID 296:464 )A296 - 464
4X-RAY DIFFRACTION4( CHAIN d AND RESID 1:42 )d1 - 42
5X-RAY DIFFRACTION5( CHAIN d AND RESID 43:120 )d43 - 120
6X-RAY DIFFRACTION6( CHAIN d AND RESID 121:229 )d121 - 229
7X-RAY DIFFRACTION7( CHAIN d AND RESID 230:426 )d230 - 426
8X-RAY DIFFRACTION8( CHAIN c AND RESID 1:64 )c1 - 64
9X-RAY DIFFRACTION9( CHAIN c AND RESID 65:176 )c65 - 176
10X-RAY DIFFRACTION10( CHAIN c AND RESID 177:325 )c177 - 325
11X-RAY DIFFRACTION11( CHAIN c AND RESID 326:417 )c326 - 417
12X-RAY DIFFRACTION12( CHAIN c AND RESID 418:484 )c418 - 484
13X-RAY DIFFRACTION13( CHAIN D AND RESID 1:84 )D1 - 84
14X-RAY DIFFRACTION14( CHAIN D AND RESID 85:140 )D85 - 140
15X-RAY DIFFRACTION15( CHAIN D AND RESID 141:247 )D141 - 247
16X-RAY DIFFRACTION16( CHAIN D AND RESID 248:285 )D248 - 285
17X-RAY DIFFRACTION17( CHAIN D AND RESID 286:394 )D286 - 394
18X-RAY DIFFRACTION18( CHAIN D AND RESID 395:487 )D395 - 487
19X-RAY DIFFRACTION19( CHAIN D AND RESID 488:533 )D488 - 533
20X-RAY DIFFRACTION20( CHAIN D AND RESID 534:631 )D534 - 631
21X-RAY DIFFRACTION21( CHAIN C AND RESID 1:45 )C1 - 45
22X-RAY DIFFRACTION22( CHAIN C AND RESID 46:151 )C46 - 151
23X-RAY DIFFRACTION23( CHAIN C AND RESID 152:256 )C152 - 256
24X-RAY DIFFRACTION24( CHAIN C AND RESID 257:452 )C257 - 452
25X-RAY DIFFRACTION25( CHAIN C AND RESID 453:516 )C453 - 516
26X-RAY DIFFRACTION26( CHAIN C AND RESID 517:549 )C517 - 549
27X-RAY DIFFRACTION27( CHAIN C AND RESID 550:649 )C550 - 649
28X-RAY DIFFRACTION28( CHAIN N AND RESID 1:12 )N1 - 12
29X-RAY DIFFRACTION29( CHAIN N AND RESID 13:13 )N13
30X-RAY DIFFRACTION30( CHAIN T AND RESID 2:6 )T2 - 6
31X-RAY DIFFRACTION31( CHAIN T AND RESID 7:29 )T7 - 29
32X-RAY DIFFRACTION32( CHAIN T AND RESID 30:30 )T30
33X-RAY DIFFRACTION33( CHAIN t AND RESID 1:14 )t1 - 14
34X-RAY DIFFRACTION34( CHAIN n AND RESID 1:10 )n1 - 10
35X-RAY DIFFRACTION35( CHAIN n AND RESID 11:22 )n11 - 22

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