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- PDB-6qnw: Influenza A Polymerase Heterotrimer Human H3N2 Northern Territory 1968 -

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Basic information

Entry
Database: PDB / ID: 6qnw
TitleInfluenza A Polymerase Heterotrimer Human H3N2 Northern Territory 1968
Components
  • Polymerase acidic protein
  • Polymerase basic protein 2
  • RNA-directed RNA polymerase catalytic subunit
KeywordsRNA BINDING PROTEIN / Influenza A / RNA polymerase / Influenza polymerase / Influenza dimer / RDRP
Function / homology
Function and homology information


cap snatching / suppression by virus of host RNA polymerase II activity / host cell mitochondrion / 7-methylguanosine mRNA capping / viral transcription / suppression by virus of host MAVS activity / virion / RNA-directed RNA polymerase / viral RNA genome replication / endonuclease activity ...cap snatching / suppression by virus of host RNA polymerase II activity / host cell mitochondrion / 7-methylguanosine mRNA capping / viral transcription / suppression by virus of host MAVS activity / virion / RNA-directed RNA polymerase / viral RNA genome replication / endonuclease activity / RNA-directed 5'-3' RNA polymerase activity / host cell cytoplasm / Hydrolases, Acting on ester bonds / transcription, DNA-templated / host cell nucleus / nucleotide binding / RNA binding / metal ion binding
Influenza RNA-dependent RNA polymerase subunit PB2 / RdRp of negative ssRNA viruses with segmented genomes catalytic domain profile. / Influenza RNA-dependent RNA polymerase subunit PA / Influenza RNA-dependent RNA polymerase subunit PB1 / PA/PA-X superfamily / Polymerase acidic protein / PB2, C-terminal / Influenza RNA-dependent RNA polymerase subunit PB1 / Influenza RNA-dependent RNA polymerase subunit PB2 / Influenza RNA-dependent RNA polymerase subunit PA / RNA-directed RNA polymerase, negative-strand RNA virus
Polymerase basic protein 2 / RNA-directed RNA polymerase catalytic subunit / Polymerase acidic protein
Biological speciesInfluenza A virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.31 Å
AuthorsKeown, J.R. / Fan, H. / Grimes, J.M.
Funding support United Kingdom, 3items
OrganizationGrant numberCountry
Wellcome Trust200835/Z/16/Z United Kingdom
Medical Research Council (United Kingdom)MR/R009945/1 United Kingdom
Medical Research Council (United Kingdom)MR/K000241/1 United Kingdom
Validation Report
SummaryFull reportAbout validation report
History
DepositionFeb 12, 2019Deposition site: PDBE / Processing site: PDBE
Revision 1.0Sep 4, 2019Provider: repository / Type: Initial release
Revision 1.1Sep 11, 2019Group: Data collection / Derived calculations
Category: pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop
Revision 1.2Sep 18, 2019Group: Data collection / Database references / Category: citation / citation_author / Item: _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.3Sep 25, 2019Group: Data collection / Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Polymerase acidic protein
B: RNA-directed RNA polymerase catalytic subunit
C: Polymerase basic protein 2
D: Polymerase acidic protein
E: RNA-directed RNA polymerase catalytic subunit
F: Polymerase basic protein 2
G: Polymerase acidic protein
H: RNA-directed RNA polymerase catalytic subunit
I: Polymerase basic protein 2
J: Polymerase acidic protein
K: RNA-directed RNA polymerase catalytic subunit
L: Polymerase basic protein 2


Theoretical massNumber of molelcules
Total (without water)1,026,33312
Polymers1,026,33312
Non-polymers00
Water0
1
A: Polymerase acidic protein
B: RNA-directed RNA polymerase catalytic subunit
C: Polymerase basic protein 2


Theoretical massNumber of molelcules
Total (without water)256,5833
Polymers256,5833
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area34700 Å2
ΔGint-199 kcal/mol
Surface area89680 Å2
MethodPISA
2
D: Polymerase acidic protein
E: RNA-directed RNA polymerase catalytic subunit
F: Polymerase basic protein 2


Theoretical massNumber of molelcules
Total (without water)256,5833
Polymers256,5833
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area32760 Å2
ΔGint-194 kcal/mol
Surface area89870 Å2
MethodPISA
3
G: Polymerase acidic protein
H: RNA-directed RNA polymerase catalytic subunit
I: Polymerase basic protein 2


Theoretical massNumber of molelcules
Total (without water)256,5833
Polymers256,5833
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area35010 Å2
ΔGint-197 kcal/mol
Surface area89420 Å2
MethodPISA
4
J: Polymerase acidic protein
K: RNA-directed RNA polymerase catalytic subunit
L: Polymerase basic protein 2


Theoretical massNumber of molelcules
Total (without water)256,5833
Polymers256,5833
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area34190 Å2
ΔGint-194 kcal/mol
Surface area89840 Å2
MethodPISA
Unit cell
γ
α
β
Length a, b, c (Å)336.480, 191.895, 235.735
Angle α, β, γ (deg.)90.000, 91.502, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
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
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
41
12
22
32
42
13
23
33
43

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111(chain 'A' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 619 or resid 632 through 714))A1 - 63
121(chain 'A' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 619 or resid 632 through 714))A73 - 372
131(chain 'A' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 619 or resid 632 through 714))A376 - 388
141(chain 'A' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 619 or resid 632 through 714))A396 - 549
151(chain 'A' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 619 or resid 632 through 714))A556 - 618
161(chain 'A' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 619 or resid 632 through 714))A632 - 713
211(chain 'D' and (resid 1 through 64 or resid 73 through 389 or resid 396 through 550 or resid 556 through 714))D1 - 63
221(chain 'D' and (resid 1 through 64 or resid 73 through 389 or resid 396 through 550 or resid 556 through 714))D73 - 372
231(chain 'D' and (resid 1 through 64 or resid 73 through 389 or resid 396 through 550 or resid 556 through 714))D376 - 388
241(chain 'D' and (resid 1 through 64 or resid 73 through 389 or resid 396 through 550 or resid 556 through 714))D396 - 549
251(chain 'D' and (resid 1 through 64 or resid 73 through 389 or resid 396 through 550 or resid 556 through 714))D556 - 618
261(chain 'D' and (resid 1 through 64 or resid 73 through 389 or resid 396 through 550 or resid 556 through 714))D632 - 713
311(chain 'G' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 550 or resid 556 through 619 or resid 632 through 714))G1 - 63
321(chain 'G' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 550 or resid 556 through 619 or resid 632 through 714))G73 - 372
331(chain 'G' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 550 or resid 556 through 619 or resid 632 through 714))G376 - 388
341(chain 'G' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 550 or resid 556 through 619 or resid 632 through 714))G396 - 549
351(chain 'G' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 550 or resid 556 through 619 or resid 632 through 714))G556 - 618
361(chain 'G' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 550 or resid 556 through 619 or resid 632 through 714))G632 - 713
411(chain 'J' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 619 or resid 632 through 714))J1 - 63
421(chain 'J' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 619 or resid 632 through 714))J73 - 372
431(chain 'J' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 619 or resid 632 through 714))J376 - 388
441(chain 'J' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 619 or resid 632 through 714))J396 - 549
451(chain 'J' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 619 or resid 632 through 714))J556 - 618
461(chain 'J' and (resid 1 through 64 or resid 73 through 373 or resid 376 through 389 or resid 396 through 619 or resid 632 through 714))J632 - 713
112(chain 'B' and (resid 1 through 30 or resid 36 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 665 or resid 684 through 756))B1 - 29
122(chain 'B' and (resid 1 through 30 or resid 36 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 665 or resid 684 through 756))B36 - 181
132(chain 'B' and (resid 1 through 30 or resid 36 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 665 or resid 684 through 756))B213 - 222
142(chain 'B' and (resid 1 through 30 or resid 36 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 665 or resid 684 through 756))B244 - 631
152(chain 'B' and (resid 1 through 30 or resid 36 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 665 or resid 684 through 756))B655 - 664
162(chain 'B' and (resid 1 through 30 or resid 36 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 665 or resid 684 through 756))B684 - 755
212(chain 'E' and (resid 1 through 223 or resid 244 through 665 or resid 684 through 756))E1 - 29
222(chain 'E' and (resid 1 through 223 or resid 244 through 665 or resid 684 through 756))E36 - 181
232(chain 'E' and (resid 1 through 223 or resid 244 through 665 or resid 684 through 756))E213 - 222
242(chain 'E' and (resid 1 through 223 or resid 244 through 665 or resid 684 through 756))E244 - 631
252(chain 'E' and (resid 1 through 223 or resid 244 through 665 or resid 684 through 756))E655 - 664
262(chain 'E' and (resid 1 through 223 or resid 244 through 665 or resid 684 through 756))E684 - 755
312(chain 'H' and (resid 1 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 665 or resid 684 through 756))H1 - 29
322(chain 'H' and (resid 1 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 665 or resid 684 through 756))H36 - 181
332(chain 'H' and (resid 1 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 665 or resid 684 through 756))H213 - 222
342(chain 'H' and (resid 1 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 665 or resid 684 through 756))H244 - 631
352(chain 'H' and (resid 1 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 665 or resid 684 through 756))H655 - 664
362(chain 'H' and (resid 1 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 665 or resid 684 through 756))H684 - 755
412(chain 'K' and (resid 1 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 756))K1 - 29
422(chain 'K' and (resid 1 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 756))K36 - 181
432(chain 'K' and (resid 1 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 756))K213 - 222
442(chain 'K' and (resid 1 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 756))K244 - 631
452(chain 'K' and (resid 1 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 756))K655 - 664
462(chain 'K' and (resid 1 through 182 or resid 213 through 223 or resid 244 through 632 or resid 655 through 756))K684 - 755
113(chain 'C' and (resid 1 through 79 or resid 89 through 247 or resid 252 through 418 or resid 430 through 752))C1 - 78
123(chain 'C' and (resid 1 through 79 or resid 89 through 247 or resid 252 through 418 or resid 430 through 752))C89 - 175
133(chain 'C' and (resid 1 through 79 or resid 89 through 247 or resid 252 through 418 or resid 430 through 752))C183 - 246
143(chain 'C' and (resid 1 through 79 or resid 89 through 247 or resid 252 through 418 or resid 430 through 752))C252 - 417
153(chain 'C' and (resid 1 through 79 or resid 89 through 247 or resid 252 through 418 or resid 430 through 752))C430 - 674
163(chain 'C' and (resid 1 through 79 or resid 89 through 247 or resid 252 through 418 or resid 430 through 752))C693 - 751
213(chain 'F' and (resid 1 through 79 or resid 89 through 247 or resid 252 through 418 or resid 430 through 752))F1 - 78
223(chain 'F' and (resid 1 through 79 or resid 89 through 247 or resid 252 through 418 or resid 430 through 752))F89 - 175
233(chain 'F' and (resid 1 through 79 or resid 89 through 247 or resid 252 through 418 or resid 430 through 752))F183 - 246
243(chain 'F' and (resid 1 through 79 or resid 89 through 247 or resid 252 through 418 or resid 430 through 752))F252 - 417
253(chain 'F' and (resid 1 through 79 or resid 89 through 247 or resid 252 through 418 or resid 430 through 752))F430 - 674
263(chain 'F' and (resid 1 through 79 or resid 89 through 247 or resid 252 through 418 or resid 430 through 752))F693 - 751
313(chain 'I' and (resid 1 through 79 or resid 89 through 175 or resid 183 through 247 or resid 252 through 418 or resid 430 through 752))I1 - 78
323(chain 'I' and (resid 1 through 79 or resid 89 through 175 or resid 183 through 247 or resid 252 through 418 or resid 430 through 752))I89 - 175
333(chain 'I' and (resid 1 through 79 or resid 89 through 175 or resid 183 through 247 or resid 252 through 418 or resid 430 through 752))I183 - 246
343(chain 'I' and (resid 1 through 79 or resid 89 through 175 or resid 183 through 247 or resid 252 through 418 or resid 430 through 752))I252 - 417
353(chain 'I' and (resid 1 through 79 or resid 89 through 175 or resid 183 through 247 or resid 252 through 418 or resid 430 through 752))I430 - 674
363(chain 'I' and (resid 1 through 79 or resid 89 through 175 or resid 183 through 247 or resid 252 through 418 or resid 430 through 752))I693 - 751
413(chain 'L' and (resid 1 through 175 or resid 183 through 752))L1 - 78
423(chain 'L' and (resid 1 through 175 or resid 183 through 752))L89 - 175
433(chain 'L' and (resid 1 through 175 or resid 183 through 752))L183 - 246
443(chain 'L' and (resid 1 through 175 or resid 183 through 752))L252 - 417
453(chain 'L' and (resid 1 through 175 or resid 183 through 752))L430 - 674
463(chain 'L' and (resid 1 through 175 or resid 183 through 752))L693 - 751

NCS ensembles:
ID
1
2
3

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Components

#1: Protein/peptide
Polymerase acidic protein / RNA-directed RNA polymerase subunit P2


Mass: 83100.797 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus (A/Northern Territory/60/1968(H3N2))
Gene: PA / Production host: Spodoptera frugiperda (fall armyworm)
References: UniProt: Q1AR05, Hydrolases, Acting on ester bonds
#2: Protein/peptide
RNA-directed RNA polymerase catalytic subunit / Polymerase basic protein 1 / PB1 / RNA-directed RNA polymerase subunit P1


Mass: 86524.086 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus (strain A/Northern Territory/60/1968 H3N2)
Gene: PB1 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: P03432, RNA-directed RNA polymerase
#3: Protein/peptide
Polymerase basic protein 2 / RNA-directed RNA polymerase subunit P3


Mass: 86958.242 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus (strain A/Northern Territory/60/1968 H3N2)
Gene: PB2 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: P03429

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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: 3.96 Å3/Da / Density % sol: 68.94 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.4 / Details: 1-1.6 M K/Na phosphate / PH range: 6 - 7

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I24 / Wavelength: 0.96862 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Sep 22, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.96862 Å / Relative weight: 1
ReflectionResolution: 3.31→235.654 Å / Num. obs: 123159 / % possible obs: 95.3 % / Redundancy: 14.4 % / Biso Wilson estimate: 88.49 Å2 / CC1/2: 0.988 / Rmerge(I) obs: 0.459 / Rpim(I) all: 0.126 / Rrim(I) all: 0.476 / Net I/σ(I): 4.8
Reflection shellResolution: 3.321→3.916 Å / Redundancy: 13.7 % / Rmerge(I) obs: 2.243 / Mean I/σ(I) obs: 2 / Num. unique obs: 9466 / CC1/2: 0.646 / Rpim(I) all: 0.626 / Rrim(I) all: 2.363 / % possible all: 80.7

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Processing

Software
NameVersionClassification
PHENIX1.14_3260refinement
Cootmodel building
AutoPROCdata scaling
PHASERphasing
XDSdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5D9A
Resolution: 3.31→138.62 Å / SU ML: 0.4971 / Cross valid method: NONE / σ(F): 1.33 / Phase error: 29.9865
RfactorNum. reflection% reflection
Rfree0.2787 6172 5.02 %
Rwork0.2355 --
Obs0.2377 123065 55.08 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 117.41 Å2
Refinement stepCycle: LAST / Resolution: 3.31→138.62 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms67232 0 0 0 67232
Refine LS restraints

Refinement-ID: X-RAY DIFFRACTION

TypeDev idealNumber
f_bond_d0.002468492
f_angle_d0.618292287
f_chiral_restr0.042710173
f_plane_restr0.003611874
f_dihedral_angle_d8.660641989
LS refinement shell

Refinement-ID: X-RAY DIFFRACTION

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
3.31-3.340.632320.4028410.59
3.34-3.380.533580.32411131.65
3.38-3.420.3809100.34542123.02
3.42-3.470.3452180.33743635.18
3.47-3.510.3234260.34614886.97
3.51-3.560.32320.34376278.93
3.56-3.610.4427420.333476510.88
3.61-3.670.3893440.316294713.29
3.67-3.720.3466610.3278108515.42
3.72-3.780.4035610.3025129418.46
3.78-3.850.3138770.2944150221.31
3.85-3.920.3526980.2922179925.46
3.92-3.990.3411230.2894211930.36
3.99-4.080.3351190.2789257336
4.08-4.160.30291640.2661301742.91
4.16-4.260.28262000.2597363251.82
4.26-4.370.29292630.2494493369.61
4.37-4.490.29443370.2506625588.84
4.49-4.620.31663730.2362697598.25
4.62-4.770.28243610.2323703999.87
4.77-4.940.27533720.23167105100
4.94-5.140.29723870.23917068100
5.14-5.370.29563610.24997060100
5.37-5.650.29383750.25557100100
5.65-6.010.28343680.267083100
6.01-6.470.28273810.2637087100
6.47-7.120.29733730.24847122100
7.12-8.150.27533720.21127134100
8.15-10.270.18553850.1617713199.96
10.27-138.750.26613790.2244722499.44
Refinement TLS params.

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

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
17.37726460624-1.22264119924-0.2435008229021.19149409270.7948474524352.3471467304-0.260164829549-0.449484717953-0.8010408125980.4772468248690.5966788302990.885450333991-0.150775035793-1.01361347046-0.3436429258660.6312874606090.1362559936390.1460880543641.14525316310.3947854368510.92149007265615.368122057-1.9711039131421.2504572485
21.72381055253-0.31425439624-0.9411261778610.8746543886830.3371732688080.515399704429-0.16429450758-0.171213884545-0.4853530614910.009283231424260.07428211495730.08080656487050.253037385636-0.1303687812430.02325442542370.5630438525630.0404161583348-0.1166534578520.8387228322240.2170659448160.3784696945282.652302868-17.463505371223.6837561007
31.47341181087-0.268563037881-0.6348710757591.25258738149-0.1928013608951.73857441586-0.0865659267084-0.4147033472980.1190651771660.160750709563-0.0389274992319-0.217841207683-0.00155461418030.1005102315220.09576326446150.293213435844-0.0950341514877-0.06040812470390.6049836159050.01185062760750.36771904017895.3207416938-0.2299288739328.2240771912
42.070649789711.04423455856-0.422157446961.681726632130.1469828056090.852303684496-0.283332176809-0.132538260567-0.534464670650.1709308383260.2224054216290.139861805720.360791635949-0.226640174337-0.1159154176610.620771549237-0.154360670525-0.1367991866551.103225821270.2367317961150.63777009975780.7525682217-13.819168771438.6305973226
52.43427435458-0.3365182545510.7571482352282.579282926551.341611983343.86786978898-0.075650846932-0.193434743129-0.40083897071-0.0337559191484-0.02031010927840.1632365934450.241166725247-0.09693869267820.08780738208930.329726799767-0.09007885464170.0493132871330.5788516649830.2734767355260.4660979137156.1816202216-18.195984755433.6219040028
61.219956058130.6901346471860.3363386969080.712734991344-0.5166982325411.0055007420.0143345592943-0.0190286994191-0.0913516332216-0.06089006891510.0208488702628-0.1838672700310.1964431560540.135924979783-0.06259213700980.5181385178320.0842917317039-0.05568059426960.9284521875840.1728955785070.41766127981770.7808887805-16.057571805842.4887921465
72.333260554631.17644621518-0.462386489743.26438412068-0.3834491020368.30674536275-0.4074924789070.363145704155-0.121552992217-0.1130318356530.402128336996-0.2069894871470.248220153759-0.5071019352240.1148678525060.2154708676450.004129810432740.1451106405140.2822730163670.04591713815650.65575200514978.059915597417.086749876811.8640905337
83.594845637383.61467200557-0.476036377893.78319023218-0.295568874460.5389109559070.230698972380.1867709833260.7269281817730.0686780257999-0.252674272360.4284040422350.210029953077-0.150553997858-0.03561398077830.2773561844730.0912917058030.05227481997460.8365516394580.09733853819170.50286514756757.41918121784.669488976573.27138030243
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572.20736258191.50826853903-0.7746170485883.62205728245-1.090514941860.6320239701520.1892722369560.3736012283760.123417628227-0.1453159145260.0412261077669-0.3508764880340.456588258413-0.53186900301-0.06420055323511.049246638110.184100598349-0.02160174281741.063630795720.1660694061010.406026872002243.41967302-5.29721021221-134.326658498
580.734740687437-0.1678525571040.1922981671250.863711866236-0.5311608634791.423546989980.2480640874311.233077365810.538171403529-0.973022779644-0.2321774583070.2655463754620.210146663939-0.8801828155150.005122481687581.139981862170.38533678251-0.2743666501652.097993320680.353286995370.0539820106403226.9597971070.195733286378-141.725652488
590.8205581006350.385685383185-0.6302670674292.21254555621.423990963374.425154618040.05797730016220.7921075250750.859227031348-0.1201300788310.3960690474420.648784779911-0.68667113918-0.252629371271-0.3169222385971.237076513750.414100829626-0.07431741102521.466751657780.217388024211.09853586043213.64114433817.2359428276-123.813070343
605.66468612606-0.6649392792370.0801697155941.41564511101-1.472324177165.139547284930.265821520857-0.8992379618471.256204961650.3816502055150.05813082416910.0153802197488-1.54976549515-0.538830369638-0.1386247597181.095712129110.220195891321-0.008495178794730.818819164643-0.2072371223561.11314237833219.30067007815.3253612582-96.2206701094
611.68016069160.6686536201631.337112851190.3161983159920.7701047062894.91717838918-0.2165501389380.2562333398410.201267378032-0.5655827903680.2165085916660.575729978048-0.0497463104007-0.5998575934570.1266036694281.081264107460.319198288705-0.1870647819341.382941813250.2284492941590.830139882701203.8280866033.84608887941-114.105559763
622.35945004086-0.557945487486-0.391220443291.52590517013-0.4809649637182.763682088240.2910138034070.6412269420191.027099823940.002980057186120.147245746320.222013418972-0.728737136808-0.673091369263-0.4286512941010.9729004559730.4152027916340.0644021354091.315926266370.2495612806131.0078036151211.679903214.7640682019-118.159658456
632.49380467068-1.021535494080.7335756097883.76534869237-1.123952863181.7386369757-0.199518619553-0.3327112339590.0958029965145-0.7676253555110.135211939347-0.3152465615410.633577347219-0.1004276713540.1208218588421.037411497110.08601721516670.006472544463681.019085721620.04528891110610.303110381959240.748523603-21.4373786454-117.730306819
641.50547977749-1.30022138421-0.7652762880223.13957133099-0.5635158335011.643322022180.18071620713-0.5443633181670.2073459299650.0641023256974-0.496529197972-0.0723959052288-0.2980790195010.6339124488430.2616930679360.564552788329-0.220191846286-0.006355318468261.3514099753-0.1475781346170.599611854558243.023916288-9.21195442534-85.7042014012
650.898235712331-0.365109985858-0.7529580665111.357843574770.5845899237973.217838377180.184258300852-0.2985656879360.179544474703-0.0387614966401-0.3572465517030.1493879662660.208095969414-0.2939238424120.1953260498130.751329662420.0148979451308-0.02512715678340.9215159881950.04009855639020.47252137438234.106414302-17.1530576132-100.400989595
663.13402828357-2.062633154362.203939130981.58198851748-0.5562738863134.182172136880.1299984027520.7142985803530.638656628971-0.324883096572-0.4482434361790.07736314769190.102592086825-0.5555867796220.3608133550590.682856579944-0.172787787791-0.1268778336171.461413212260.2929315131241.21903569076189.148448895-20.9057135977-105.166135546
672.005496313451.49433290921-0.8028945450132.28915576087-0.5148739606470.680841776427-0.1018169885690.008319181358020.257758646350.01461990179760.09676801974010.5118803567810.173087203415-0.0352653366556-0.08988057975490.762104872789-0.09178990104520.1200295289120.774351203186-0.2282049068080.8217314388200.279150412-37.6171409887-72.0442122867
681.4159924931-1.92922896075-0.2741433399532.78134665250.3324401800880.0682324163471-0.761193690049-0.938966262087-0.5836347122151.308908807590.1354211084651.072600499790.319384918066-0.2682750796620.5867219349251.04028991074-0.04634094526740.3416020435991.98647750846-0.096925875170.614922460951220.598672446-17.0909503221-66.1063313528
Refinement TLS group

Refinement-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection details
11chain 'A' and (resid 1 through 184 )
22chain 'A' and (resid 185 through 405 )
33chain 'A' and (resid 406 through 716 )
44chain 'B' and (resid 1 through 56 )
55chain 'B' and (resid 57 through 359 )
66chain 'B' and (resid 360 through 518 )
77chain 'B' and (resid 519 through 617 )
88chain 'B' and (resid 618 through 713 )
99chain 'B' and (resid 714 through 756 )
1010chain 'C' and (resid 1 through 140 )
1111chain 'C' and (resid 141 through 220 )
1212chain 'C' and (resid 221 through 422 )
1313chain 'C' and (resid 423 through 565 )
1414chain 'C' and (resid 566 through 667 )
1515chain 'C' and (resid 668 through 756 )
1616chain 'D' and (resid 1 through 184 )
1717chain 'D' and (resid 185 through 288 )
1818chain 'D' and (resid 289 through 526 )
1919chain 'D' and (resid 527 through 714 )
2020chain 'E' and (resid 1 through 84 )
2121chain 'E' and (resid 85 through 152 )
2222chain 'E' and (resid 153 through 248 )
2323chain 'E' and (resid 249 through 325 )
2424chain 'E' and (resid 326 through 473 )
2525chain 'E' and (resid 474 through 540 )
2626chain 'E' and (resid 541 through 593 )
2727chain 'E' and (resid 594 through 699 )
2828chain 'E' and (resid 700 through 756 )
2929chain 'F' and (resid 1 through 220 )
3030chain 'F' and (resid 221 through 422 )
3131chain 'F' and (resid 423 through 541 )
3232chain 'F' and (resid 542 through 704 )
3333chain 'F' and (resid 705 through 752 )
3434chain 'G' and (resid 1 through 184 )
3535chain 'G' and (resid 185 through 288 )
3636chain 'G' and (resid 289 through 405 )
3737chain 'G' and (resid 406 through 716 )
3838chain 'H' and (resid 1 through 84 )
3939chain 'H' and (resid 85 through 247 )
4040chain 'H' and (resid 248 through 325 )
4141chain 'H' and (resid 326 through 382 )
4242chain 'H' and (resid 383 through 427 )
4343chain 'H' and (resid 428 through 473 )
4444chain 'H' and (resid 474 through 518 )
4545chain 'H' and (resid 519 through 634 )
4646chain 'H' and (resid 635 through 713 )
4747chain 'H' and (resid 714 through 756 )
4848chain 'I' and (resid 1 through 140 )
4949chain 'I' and (resid 141 through 220 )
5050chain 'I' and (resid 221 through 328 )
5151chain 'I' and (resid 329 through 422 )
5252chain 'I' and (resid 423 through 541 )
5353chain 'I' and (resid 542 through 705 )
5454chain 'I' and (resid 706 through 756 )
5555chain 'J' and (resid 1 through 184 )
5656chain 'J' and (resid 185 through 405 )
5757chain 'J' and (resid 406 through 526 )
5858chain 'J' and (resid 527 through 716 )
5959chain 'K' and (resid 1 through 84 )
6060chain 'K' and (resid 85 through 247 )
6161chain 'K' and (resid 248 through 325 )
6262chain 'K' and (resid 326 through 518 )
6363chain 'K' and (resid 519 through 617 )
6464chain 'K' and (resid 618 through 756 )
6565chain 'L' and (resid 1 through 255 )
6666chain 'L' and (resid 256 through 485 )
6767chain 'L' and (resid 486 through 704 )
6868chain 'L' and (resid 705 through 756 )

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