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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 / RNA polymerase II activity / ribonucleoside binding / DNA-directed 5'-3' RNA polymerase activity / DNA-directed RNA polymerase / DNA-templated transcription / DNA binding / metal ion binding
Similarity search - Function
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
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

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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

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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)
11.9860.03870.48825.18421.46132.35840.1730.00090.04850.64640.0298-0.1375-0.2032-0.0467-0.15570.9761-0.02380.32911.20170.11511.2246-4.4240.32997.333
22.72012.5139-1.92215.6012-1.02843.5263-0.4666-0.2008-0.1719-0.13210.3228-0.44140.29840.12240.07660.56890.2539-0.02821.20680.08561.19378.11231.11669.546
32.197-0.49632.46882.91170.81027.2188-0.1731-0.38990.36050.3780.10170.0345-1.22940.21560.08431.0009-0.0243-0.25140.8413-0.14671.495546.23578.39254.146
45.231-1.9411-4.59437.3872.76244.37510.39070.27690.11511.0383-0.19280.9566-0.3139-0.0334-0.110.86520.1374-0.1420.98860.04350.862332.34838.45172.371
58.3044-0.0054-3.21080.25660.60992.7398-0.5614-0.4333-0.90990.13640.14360.15280.5370.19310.36311.01990.3149-0.15660.89690.08970.985423.41420.90378.983
62.83510.68-2.25594.0357-0.12133.0008-0.3363-0.6499-0.05350.37250.28090.07710.2327-0.0283-0.01390.60790.2762-0.05921.18210.08281.138826.24324.45673.931
71.5737-0.4717-1.18840.69730.72241.514-0.1269-0.23890.10820.0398-0.0107-0.21830.10850.21810.13940.46470.2131-0.19190.94160.05031.292155.38235.2632.631
80.14420.3033-0.27110.8302-0.36690.7850.08580.1814-0.13070.2598-0.04870.3606-0.1487-0.08110.03420.46780.1727-0.28961.2316-0.04321.44611.64129.09223.502
90.87071.4387-0.57485.4997-1.33470.89670.1195-0.2263-0.15840.3593-0.0856-0.07-0.1465-0.2901-0.03580.44990.0784-0.13781.06490.06841.30754.51917.83941.191
102.71211.0615-3.16778.8822-1.9187.66670.1809-0.57590.03320.77130.30441.02430.2934-0.7777-0.48040.7496-0.1007-0.08671.20160.03941.3047-4.295-8.95850.896
111.04360.0521-0.35630.8552-0.34631.8810.0033-0.2066-0.07940.2772-0.17760.06990.0331-0.14840.21070.4797-0.047-0.02870.84460.04881.20536.94722.35839.6
122.89220.576-2.616.25460.18536.1008-0.4462-0.3684-0.72750.024-0.0022-0.21520.5161-0.12190.32920.55350.06960.08050.65140.07061.204214.11910.99925.796
132.65641.65862.17311.30611.1045.1648-0.03610.40940.2029-0.1717-0.2195-0.64340.24220.42280.23380.5330.17140.06071.10370.11461.580375.59320.1636.027
143.39430.9438-2.12410.2559-0.58331.45330.14020.19260.0319-0.177-0.3085-0.53820.5660.67190.02630.56340.3444-0.21481.1-0.01441.353573.13418.48121.18
154.85612.5898-3.50062.569-1.46673.1105-0.39040.0062-0.6037-0.30490.0003-0.3620.62490.27080.32560.70790.1565-0.1160.67290.01781.189342.8681.436.663
163.7746-0.14144.98910.75170.86958.0573-0.5163-0.04290.00170.2754-0.21610.39530.49880.53220.65680.79460.11750.02640.71340.20991.238237.3810.62533.549
172.2307-2.8652-0.11165.5186-0.56520.5729-0.2749-0.1745-0.58290.09340.047-0.41950.75760.64450.12270.99360.56530.20491.17630.35891.727666.0222.30643.69
183.2381.2676-0.50335.69650.0796.2999-0.1119-0.7269-0.0480.24130.10760.66490.29130.00210.02870.63150.159-0.03630.86770.06691.572821.075-21.69223.72
195.04583.55013.70173.3033.47123.6379-0.2983-0.1777-0.588-0.24730.5665-0.0222-0.39120.1288-0.24470.82120.04480.22311.060.18561.569332.457-10.75631.886
202.23080.1237-1.69751.09310.84242.0696-0.3135-0.5857-0.67650.0473-0.12070.01941.1024-0.0040.24561.32890.40040.23530.95620.28981.405352.7196.06655.35
213.54694.8290.42979.24513.17042.6757-0.1395-0.1587-0.14670.3828-0.2550.67990.69460.16460.35460.60810.1331-0.1630.6850.0181.37724.3611.75812.553
221.9192-2.8545-1.68294.5412.082.0315-0.14380.2224-0.06130.1470.11090.27790.38550.25010.0150.43230.0342-0.12620.88940.15161.120213.51643.09910.69
230.6011-0.6539-0.26423.64621.94423.1725-0.0105-0.02440.3312-0.23120.03810.1619-0.5339-0.1009-0.01240.36620.0216-0.19080.72430.07011.147735.36652.03724.603
241.2249-0.4579-0.23071.56980.20691.47460.03220.07620.1633-0.02540.0123-0.0436-0.1828-0.0389-0.05280.34710.0547-0.17840.68370.11181.117725.48243.36415.005
251.40670.3083-0.5741.6774-0.2035.2927-0.11660.38010.0395-0.65480.08960.22270.4168-0.29450.08360.50770.0661-0.13320.9556-0.06971.155330.33222.433-10.035
260.4527-0.28270.22010.3913-0.18910.1544-0.00820.10960.18230.23290.2568-0.2986-0.0851-0.06910.5010.16320.2276-0.40810.70440.03311.387941.76833.69720.12
271.1573-0.9627-0.24113.1615-1.8412.523-0.2622-0.68030.14350.29620.0967-0.1665-0.34240.44250.08840.60930.3062-0.21591.0933-0.10681.091449.0536.90350.739
286.8694-2.13572.22472.01550.46317.47540.2146-1.3515-0.2451-1.2472-0.12740.55371.5605-1.8012-0.25612.2926-0.25640.01072.54640.16322.664624.04-2.5258.04
290.8259-0.7088-1.5791.34212.20343.9993-0.0349-0.15360.3975-0.09820.3004-0.0769-0.0588-0.445-0.24313.5215-1.0227-1.21064.27490.18564.51221.135-22.58861.499
300.20270.3755-0.14531.1815-1.04012.2974-0.67730.7155-0.5158-1.65990.56080.7052-0.6059-0.33790.14333.6065-0.2851-0.60082.66350.03542.515324.543-15.77166.363
314.2298-4.2269-0.64279.7336-1.71822.12110.3564-0.30210.5687-0.9593-0.0411-1.46730.74270.2396-0.27091.3018-0.0351-0.02341.7762-0.04151.65542022.87150.798
326.2566-0.58876.04570.0763-0.56526.663-0.2935-0.46480.7061-0.295-0.0646-0.1515-0.1379-1.01610.31862.0633-0.1127-0.38544.1149-0.60823.1071-7.57445.26266.186
331.29441.1944-0.91882.35871.10044.3581-1.19250.08020.8751-2.61411.1806-1.166-2.6466-0.1546-0.18912.9331-0.25580.01141.69920.22323.03186.75268.4271.668
349.96838.77652.48027.73442.19870.63292.21420.15662.00521.6426-1.4641.22170.43780.4114-0.74132.467-0.08510.13251.92760.05092.919410.97774.05571.531
352.34144.2344-0.57078.5862-2.98924.26340.4201-0.19850.3723-1.0211-0.56640.38320.19590.59510.14541.28870.30520.02142.00290.06521.8963-3.83336.84774.976
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1CHAIN A AND RESID 2:178 )
2X-RAY DIFFRACTION2CHAIN A AND RESID 179:295 )
3X-RAY DIFFRACTION3CHAIN A AND RESID 296:464 )
4X-RAY DIFFRACTION4CHAIN D AND RESID 1:42 )
5X-RAY DIFFRACTION5CHAIN D AND RESID 43:120 )
6X-RAY DIFFRACTION6CHAIN D AND RESID 121:229 )
7X-RAY DIFFRACTION7CHAIN D AND RESID 230:426 )
8X-RAY DIFFRACTION8CHAIN C AND RESID 1:64 )
9X-RAY DIFFRACTION9CHAIN C AND RESID 65:176 )
10X-RAY DIFFRACTION10CHAIN C AND RESID 177:325 )
11X-RAY DIFFRACTION11CHAIN C AND RESID 326:417 )
12X-RAY DIFFRACTION12CHAIN C AND RESID 418:484 )
13X-RAY DIFFRACTION13CHAIN D AND RESID 1:84 )
14X-RAY DIFFRACTION14CHAIN D AND RESID 85:140 )
15X-RAY DIFFRACTION15CHAIN D AND RESID 141:247 )
16X-RAY DIFFRACTION16CHAIN D AND RESID 248:285 )
17X-RAY DIFFRACTION17CHAIN D AND RESID 286:394 )
18X-RAY DIFFRACTION18CHAIN D AND RESID 395:487 )
19X-RAY DIFFRACTION19CHAIN D AND RESID 488:533 )
20X-RAY DIFFRACTION20CHAIN D AND RESID 534:631 )
21X-RAY DIFFRACTION21CHAIN C AND RESID 1:45 )
22X-RAY DIFFRACTION22CHAIN C AND RESID 46:151 )
23X-RAY DIFFRACTION23CHAIN C AND RESID 152:256 )
24X-RAY DIFFRACTION24CHAIN C AND RESID 257:452 )
25X-RAY DIFFRACTION25CHAIN C AND RESID 453:516 )
26X-RAY DIFFRACTION26CHAIN C AND RESID 517:549 )
27X-RAY DIFFRACTION27CHAIN C AND RESID 550:649 )
28X-RAY DIFFRACTION28CHAIN N AND RESID 1:12 )
29X-RAY DIFFRACTION29CHAIN N AND RESID 13:13 )
30X-RAY DIFFRACTION30CHAIN T AND RESID 2:6 )
31X-RAY DIFFRACTION31CHAIN T AND ( RESID 7:22 OR RESID 101:101 ) ) OR ( CHAIN A AND RESID 501:503 ) OR ( CHAIN C AND RESID 501:502 ) OR ( CHAIN N AND RESID 101:101 )
32X-RAY DIFFRACTION32CHAIN T AND RESID 101:101 )
33X-RAY DIFFRACTION33CHAIN T AND RESID 1:14 )
34X-RAY DIFFRACTION34CHAIN N AND RESID 1:10 )
35X-RAY DIFFRACTION35CHAIN N AND RESID 11:22 )

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