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- PDB-3olb: Poliovirus polymerase elongation complex with 2',3'-dideoxy-ctp -

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Basic information

Entry
Database: PDB / ID: 3olb
TitlePoliovirus polymerase elongation complex with 2',3'-dideoxy-ctp
Components
  • Polymerase
  • RNA (5'-R(*AP*AP*GP*UP*CP*U*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*CP*GP*GP*AP*AP*A)-3')
  • RNA (5'-R(*GP*CP*CP*CP*GP*GP*AP*CP*GP*AP*GP*AP*GP*A)-3')
  • RNA (5'-R(*GP*GP*GP*AP*GP*AP*UP*GP*A)-3')
KeywordsTRANSFERASE/RNA / RNA-dependent RNA polymerase / elongation complex / virus / protein-RNA complex / TRANSFERASE-RNA complex
Function / homology
Function and homology information


symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of RIG-I activity / ribonucleoside triphosphate phosphatase activity / picornain 2A / symbiont-mediated suppression of host mRNA export from nucleus / symbiont genome entry into host cell via pore formation in plasma membrane / picornain 3C / T=pseudo3 icosahedral viral capsid / host cell cytoplasmic vesicle membrane / nucleoside-triphosphate phosphatase / channel activity ...symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of RIG-I activity / ribonucleoside triphosphate phosphatase activity / picornain 2A / symbiont-mediated suppression of host mRNA export from nucleus / symbiont genome entry into host cell via pore formation in plasma membrane / picornain 3C / T=pseudo3 icosahedral viral capsid / host cell cytoplasmic vesicle membrane / nucleoside-triphosphate phosphatase / channel activity / monoatomic ion transmembrane transport / RNA helicase activity / endocytosis involved in viral entry into host cell / symbiont-mediated activation of host autophagy / RNA-directed RNA polymerase / cysteine-type endopeptidase activity / viral RNA genome replication / symbiont-mediated suppression of host gene expression / RNA-directed RNA polymerase activity / DNA-templated transcription / : / host cell nucleus / virion attachment to host cell / structural molecule activity / proteolysis / RNA binding / ATP binding / membrane / metal ion binding
Similarity search - Function
Mitochondrial Import Receptor Subunit Tom20; Chain A - #20 / Mitochondrial Import Receptor Subunit Tom20; Chain A / Reverse transcriptase/Diguanylate cyclase domain / Poliovirus 3A protein-like / Poliovirus 3A protein like / Picornavirus 2B protein / Poliovirus core protein 3a, soluble domain / Picornavirus 2B protein / Peptidase C3, picornavirus core protein 2A / Picornavirus core protein 2A ...Mitochondrial Import Receptor Subunit Tom20; Chain A - #20 / Mitochondrial Import Receptor Subunit Tom20; Chain A / Reverse transcriptase/Diguanylate cyclase domain / Poliovirus 3A protein-like / Poliovirus 3A protein like / Picornavirus 2B protein / Poliovirus core protein 3a, soluble domain / Picornavirus 2B protein / Peptidase C3, picornavirus core protein 2A / Picornavirus core protein 2A / Picornavirus coat protein VP4 / Picornavirus coat protein (VP4) / Peptidase C3A/C3B, picornaviral / 3C cysteine protease (picornain 3C) / Picornavirales 3C/3C-like protease domain / Picornavirales 3C/3C-like protease domain profile. / Picornavirus capsid / picornavirus capsid protein / Helicase, superfamily 3, single-stranded RNA virus / Superfamily 3 helicase of positive ssRNA viruses domain profile. / Helicase, superfamily 3, single-stranded DNA/RNA virus / RNA helicase / Picornavirus/Calicivirus coat protein / Viral coat protein subunit / RNA-directed RNA polymerase, C-terminal domain / Viral RNA-dependent RNA polymerase / Reverse transcriptase/Diguanylate cyclase domain / Alpha-Beta Plaits / RNA-directed RNA polymerase, catalytic domain / RdRp of positive ssRNA viruses catalytic domain profile. / Peptidase S1, PA clan, chymotrypsin-like fold / Peptidase S1, PA clan / DNA/RNA polymerase superfamily / Up-down Bundle / P-loop containing nucleoside triphosphate hydrolase / 2-Layer Sandwich / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE / ISOPROPYL ALCOHOL / RNA / RNA (> 10) / Genome polyprotein
Similarity search - Component
Biological speciesHuman poliovirus 1
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.41 Å
AuthorsGong, P. / Peersen, O.B.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2010
Title: Structural basis for active site closure by the poliovirus RNA-dependent RNA polymerase.
Authors: Gong, P. / Peersen, O.B.
History
DepositionAug 25, 2010Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 22, 2010Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Nov 8, 2017Group: Refinement description / Category: software / Item: _software.name
Revision 1.3Sep 6, 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 / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _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: Polymerase
B: RNA (5'-R(*AP*AP*GP*UP*CP*U*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*CP*GP*GP*AP*AP*A)-3')
C: RNA (5'-R(*GP*CP*CP*CP*GP*GP*AP*CP*GP*AP*GP*AP*GP*A)-3')
D: RNA (5'-R(*GP*GP*GP*AP*GP*AP*UP*GP*A)-3')
E: Polymerase
F: RNA (5'-R(*AP*AP*GP*UP*CP*U*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*CP*GP*GP*AP*AP*A)-3')
G: RNA (5'-R(*GP*CP*CP*CP*GP*GP*AP*CP*GP*AP*GP*AP*GP*A)-3')
H: RNA (5'-R(*GP*GP*GP*AP*GP*AP*UP*GP*A)-3')
I: Polymerase
J: RNA (5'-R(*AP*AP*GP*UP*CP*U*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*CP*GP*GP*AP*AP*A)-3')
K: RNA (5'-R(*GP*CP*CP*CP*GP*GP*AP*CP*GP*AP*GP*AP*GP*A)-3')
L: RNA (5'-R(*GP*GP*GP*AP*GP*AP*UP*GP*A)-3')
M: Polymerase
N: RNA (5'-R(*AP*AP*GP*UP*CP*U*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*CP*GP*GP*AP*AP*A)-3')
O: RNA (5'-R(*GP*CP*CP*CP*GP*GP*AP*CP*GP*AP*GP*AP*GP*A)-3')
P: RNA (5'-R(*GP*GP*GP*AP*GP*AP*UP*GP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)281,10736
Polymers278,31916
Non-polymers2,78720
Water16,177898
1
A: Polymerase
B: RNA (5'-R(*AP*AP*GP*UP*CP*U*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*CP*GP*GP*AP*AP*A)-3')
C: RNA (5'-R(*GP*CP*CP*CP*GP*GP*AP*CP*GP*AP*GP*AP*GP*A)-3')
D: RNA (5'-R(*GP*GP*GP*AP*GP*AP*UP*GP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)70,2178
Polymers69,5804
Non-polymers6374
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
E: Polymerase
F: RNA (5'-R(*AP*AP*GP*UP*CP*U*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*CP*GP*GP*AP*AP*A)-3')
G: RNA (5'-R(*GP*CP*CP*CP*GP*GP*AP*CP*GP*AP*GP*AP*GP*A)-3')
H: RNA (5'-R(*GP*GP*GP*AP*GP*AP*UP*GP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)70,33710
Polymers69,5804
Non-polymers7576
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
I: Polymerase
J: RNA (5'-R(*AP*AP*GP*UP*CP*U*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*CP*GP*GP*AP*AP*A)-3')
K: RNA (5'-R(*GP*CP*CP*CP*GP*GP*AP*CP*GP*AP*GP*AP*GP*A)-3')
L: RNA (5'-R(*GP*GP*GP*AP*GP*AP*UP*GP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)70,2779
Polymers69,5804
Non-polymers6975
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
M: Polymerase
N: RNA (5'-R(*AP*AP*GP*UP*CP*U*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*CP*GP*GP*AP*AP*A)-3')
O: RNA (5'-R(*GP*CP*CP*CP*GP*GP*AP*CP*GP*AP*GP*AP*GP*A)-3')
P: RNA (5'-R(*GP*GP*GP*AP*GP*AP*UP*GP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)70,2779
Polymers69,5804
Non-polymers6975
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)60.528, 60.539, 192.936
Angle α, β, γ (deg.)83.82, 83.84, 77.35
Int Tables number1
Space group name H-MP1
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
12
22
13
23
14
24
15
25
16
26
17
27
18
28

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection details
111chain A
211chain E
112chain I
212chain M
113chain B
213chain F
114chain J
214chain N
115chain C
215chain G
116chain K
216chain O
117chain D
217chain H
118chain L
218chain P

NCS ensembles :
ID
1
2
3
4
5
6
7
8

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Components

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Protein , 1 types, 4 molecules AEIM

#1: Protein
Polymerase


Mass: 53761.195 Da / Num. of mol.: 4 / Fragment: UNP RESIDUES 1749-2209 / Mutation: L446D
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human poliovirus 1 / Strain: Mahoney / Gene: 3D / Plasmid: pET26b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: B3VQP5, RNA-directed RNA polymerase

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RNA chain , 3 types, 12 molecules BFJNCGKODHLP

#2: RNA chain
RNA (5'-R(*AP*AP*GP*UP*CP*U*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*CP*GP*GP*AP*AP*A)-3')


Mass: 8279.961 Da / Num. of mol.: 4 / Source method: obtained synthetically
Details: RNA prepared by T7 RNA polymerase transcription followed by glmS ribozyme self-cleavage
#3: RNA chain
RNA (5'-R(*GP*CP*CP*CP*GP*GP*AP*CP*GP*AP*GP*AP*GP*A)-3')


Mass: 4563.828 Da / Num. of mol.: 4 / Source method: obtained synthetically
Details: 5' portion was generated by chemical synthesis. The 3'-tetranucleotide was added to the RNA chain by poliovirus RNA-dependent RNA polymerase
#4: RNA chain
RNA (5'-R(*GP*GP*GP*AP*GP*AP*UP*GP*A)-3')


Mass: 2974.854 Da / Num. of mol.: 4 / Source method: obtained synthetically
Details: RNA prepared by T7 RNA polymerase transcription followed by glmS ribozyme self-cleavage

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Non-polymers , 4 types, 918 molecules

#5: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn
#6: Chemical
ChemComp-DCT / 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE


Type: DNA linking / Mass: 451.158 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C9H16N3O12P3
#7: Chemical
ChemComp-IPA / ISOPROPYL ALCOHOL / 2-PROPANOL


Mass: 60.095 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C3H8O / Comment: alkaloid*YM
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 898 / Source method: isolated from a natural source / Formula: H2O

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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: 2.45 Å3/Da / Density % sol: 49.9 %
Crystal growTemperature: 283 K / Method: vapor diffusion, sitting drop
Details: 95 mM trisodium citrate, pH 5.6-5.9, 6.5-7.0% (v/v) isopropanol, 16.5-18.0% (w/v) PEG4000, 5% (v/v) glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 283K
PH range: 5.6-5.9

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 4.2.2 / Wavelength: 1 Å
DetectorType: NOIR-1 / Detector: CCD / Date: Dec 8, 2009
RadiationMonochromator: Rosenbaum-Rock Si(111) sagitally focused monochromator
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.1→45.23 Å / Num. obs: 149534 / % possible obs: 96.8 % / Redundancy: 1.97 % / Rmerge(I) obs: 0.072 / Net I/σ(I): 4.3
Reflection shellResolution: 2.1→2.18 Å / Redundancy: 1.85 % / Rmerge(I) obs: 0.646 / Mean I/σ(I) obs: 1 / % possible all: 94.5

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Processing

Software
NameVersionClassification
Blu-Icedata collection
PHASERphasing
PHENIX(phenix.refine: 1.6.4_486)refinement
d*TREKdata reduction
d*TREKdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1RA6

1ra6


Resolution: 2.41→45.226 Å / SU ML: 0.5 / σ(F): 2.06 / Phase error: 36.09 / Stereochemistry target values: ML
Details: WHILE STRUCTURE FACTOR FILE CONTAINS DATA TO 2.10 A RESOLUTION, DATA WERE REFINED TO 2.41 A
RfactorNum. reflection% reflection
Rfree0.2613 4981 5.03 %
Rwork0.2173 --
obs0.2196 98983 96.92 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 67.498 Å2 / ksol: 0.331 e/Å3
Displacement parameters
Baniso -1Baniso -2Baniso -3
1-7.3597 Å23.1097 Å25.3705 Å2
2--3.3391 Å2-2.3024 Å2
3----10.6989 Å2
Refinement stepCycle: LAST / Resolution: 2.41→45.226 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms14788 3014 160 898 18860
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00818660
X-RAY DIFFRACTIONf_angle_d1.06325938
X-RAY DIFFRACTIONf_dihedral_angle_d16.6597348
X-RAY DIFFRACTIONf_chiral_restr0.0682928
X-RAY DIFFRACTIONf_plane_restr0.0052752
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDTypeRms dev position (Å)
11A3698X-RAY DIFFRACTIONPOSITIONAL
12E3698X-RAY DIFFRACTIONPOSITIONAL0.024
21I3698X-RAY DIFFRACTIONPOSITIONAL
22M3698X-RAY DIFFRACTIONPOSITIONAL0.03
31B361X-RAY DIFFRACTIONPOSITIONAL
32F361X-RAY DIFFRACTIONPOSITIONAL0.02
41J381X-RAY DIFFRACTIONPOSITIONAL
42N381X-RAY DIFFRACTIONPOSITIONAL0.019
51C303X-RAY DIFFRACTIONPOSITIONAL
52G303X-RAY DIFFRACTIONPOSITIONAL0.019
61K303X-RAY DIFFRACTIONPOSITIONAL
62O303X-RAY DIFFRACTIONPOSITIONAL0.019
71D68X-RAY DIFFRACTIONPOSITIONAL
72H68X-RAY DIFFRACTIONPOSITIONAL0.006
81L91X-RAY DIFFRACTIONPOSITIONAL
82P91X-RAY DIFFRACTIONPOSITIONAL0.007
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.41-2.43740.49751620.40723084X-RAY DIFFRACTION96
2.4374-2.46610.44011670.4063043X-RAY DIFFRACTION97
2.4661-2.49610.37261630.35353134X-RAY DIFFRACTION97
2.4961-2.52770.34441670.34373210X-RAY DIFFRACTION97
2.5277-2.5610.42451590.37913059X-RAY DIFFRACTION97
2.561-2.59610.43421600.373138X-RAY DIFFRACTION97
2.5961-2.63310.39091740.34863238X-RAY DIFFRACTION97
2.6331-2.67240.41191780.34853011X-RAY DIFFRACTION97
2.6724-2.71420.44541490.33963188X-RAY DIFFRACTION97
2.7142-2.75870.43711460.32873196X-RAY DIFFRACTION97
2.7587-2.80630.40621470.31013080X-RAY DIFFRACTION97
2.8063-2.85730.33811470.28793182X-RAY DIFFRACTION97
2.8573-2.91220.36651680.2683152X-RAY DIFFRACTION97
2.9122-2.97170.34751410.25473087X-RAY DIFFRACTION97
2.9717-3.03630.30181790.2423242X-RAY DIFFRACTION98
3.0363-3.10690.30011740.24053053X-RAY DIFFRACTION97
3.1069-3.18450.29291870.23193216X-RAY DIFFRACTION97
3.1845-3.27060.29061610.22733090X-RAY DIFFRACTION97
3.2706-3.36680.26881960.21443210X-RAY DIFFRACTION98
3.3668-3.47550.22921780.21153033X-RAY DIFFRACTION97
3.4755-3.59960.27241720.20233196X-RAY DIFFRACTION97
3.5996-3.74370.21541700.17663112X-RAY DIFFRACTION97
3.7437-3.9140.23161790.16973151X-RAY DIFFRACTION98
3.914-4.12020.20281660.14573152X-RAY DIFFRACTION98
4.1202-4.37820.16821640.13533183X-RAY DIFFRACTION98
4.3782-4.71590.16461580.13153216X-RAY DIFFRACTION98
4.7159-5.18980.191580.15683126X-RAY DIFFRACTION98
5.1898-5.93940.22621770.22893166X-RAY DIFFRACTION97
5.9394-7.47750.30991790.28473142X-RAY DIFFRACTION97
7.4775-45.23370.25031550.22122912X-RAY DIFFRACTION91
Refinement TLS params.

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

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
10.5779-0.4178-0.20590.38940.44950.46310.0737-0.4651-0.11920.22120.14420.1446-0.0892-0.8236-00.4959-0.0636-0.02860.71170.07710.379212.831218.2248132.0615
20.60610.39210.42680.31960.23650.49310.00910.06370.0974-0.2487-0.0511-0.1186-0.2619-0.006500.44540.0286-0.05080.3235-0.02230.372733.24932.9368132.7188
30.5981-0.42710.4530.7388-0.05020.7719-0.00180.0761-0.0201-0.1166-0.0075-0.07510.0231-0.1876-00.38140.0106-0.05410.338-0.00640.354122.535218.8883100.2345
40.61030.136-0.20251.79790.39411.05530.0199-0.0375-0.03730.14210.0264-0.09810.1477-0.013900.40920.0228-0.03880.3210.00660.350534.79824.7715124.5849
50.3467-0.11560.26790.5773-0.17140.7161-0.03790.21050.1138-0.41360.2789-0.2161-0.91690.3436-00.718-0.11740.05730.5154-0.06640.40173.623966.876464.961
60.13030.24980.32530.42540.47180.7965-0.1168-0.1442-0.10980.06880.06440.2957-0.2569-0.43600.39480.0588-0.02150.4635-0.020.368254.805650.171264.3051
70.7324-0.57020.12290.62160.4540.8221-0.0563-0.1463-0.02690.08510.08140.0355-0.18570.018900.354-0.00420.00760.3527-0.04130.345970.84657.558996.7895
81.4698-0.0130.18080.5896-0.39971.1522-0.00690.0519-0.1124-0.05690.0092-0.0603-0.06950.1281-00.36170.05210.00630.3868-0.05380.377981.942642.499172.4441
90.4672-0.421-0.29770.52720.18270.53450.0506-0.106-0.0417-0.0010.11350.0891-0.1332-0.567100.4278-0.020.00620.63040.02130.393735.400945.028636.7046
100.62540.26340.3680.2755-0.04040.3317-0.01450.11990.0446-0.037-0.0577-0.2453-0.30040.1626-00.51070.038-0.02780.3725-0.01720.37455.961259.291237.0184
111.3658-0.8210.72160.72810.24280.97020.06710.19950.0472-0.2414-0.095-0.1048-0.0165-0.1952-00.41420.0276-0.04010.33580.03060.380445.087445.09054.7452
120.55960.4032-0.03271.47930.56691.21190.0392-0.0405-0.03720.0907-0.0376-0.08480.2441-0.014100.3710.0254-0.04420.26990.01770.314857.363130.916829.0805
130.2415-0.39470.15910.462-0.08520.60470.0816-0.01520.0934-0.13960.1168-0.1556-0.70010.0918-00.7297-0.0870.03590.4636-0.02810.441795.586693.1889-30.7762
140.0470.1749-0.01060.56950.28410.4935-0.0802-0.0149-0.10630.05910.10760.2673-0.1451-0.4791-00.43370.0498-0.01510.4964-0.00530.402377.175976.2461-31.0882
150.4823-0.69920.16561.02620.67181.1448-0.0851-0.2083-0.07250.10660.12750.1246-0.2902-0.0576-00.35080.02410.01840.3498-0.04650.358793.401883.76071.1854
161.38280.16180.23510.4994-0.20591.2141-0.04520.0891-0.1134-0.05690.029-0.0396-0.03170.190400.31420.04280.01740.3596-0.0570.3543104.546868.6738-23.1451
170.01220.00920.0040.01720.0160.0077-0.42030.3416-0.2511-0.1792-0.31480.228-0.6927-0.0822-01.15420.1585-0.19830.74580.03670.62415.274536.1754125.5933
180.8125-0.06290.36211.12880.88980.7283-0.1612-0.03080.0647-0.38550.1885-0.0889-0.05210.1284-00.5031-0.08140.08270.37290.02070.457834.546329.5784111.1362
190.0098-0.012-0.00570.0072-0.00270.0032-0.3068-0.50220.38510.0542-0.4057-0.3711-0.1765-0.1906-00.89810.2659-0.05011.0095-0.21190.65555.570268.40971.4106
201.3173-0.2431.12790.86150.29381.18820.0811-0.3181-0.01810.0521-0.05760.16160.1573-0.104600.3967-0.04790.08220.46530.03590.465557.812848.182385.8965
210.010.0018-0.02020.00640.00570.0198-0.39210.10080.2216-0.1624-0.50540.2193-0.31010.1346-01.32540.2237-0.16040.7257-0.13450.83237.810262.403529.7226
220.7688-0.17540.4310.91320.52020.5771-0.11710.02980.1055-0.36530.1179-0.1803-0.17380.164200.4794-0.09020.07460.35330.04850.427657.173655.733515.5826
230.0056-0.0093-0.00710.0052-0.01230.012-0.6055-0.0880.41380.0508-0.2204-0.1694-0.21090.0229-01.05060.3904-0.1550.99-0.01240.857378.091994.6147-23.8392
241.1547-0.36140.73221.00570.52050.9937-0.0117-0.3863-0.09580.0265-0.03130.11970.2953-0.26400.4356-0.08050.09150.50020.02470.463980.381874.2865-9.6533
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain A and (resid 1:25 or resid 39:65 or resid 153:180 or resid 269:284)
2X-RAY DIFFRACTION2chain A and resid 102:152
3X-RAY DIFFRACTION3chain A and (resid 26:38 or resid 369:461)
4X-RAY DIFFRACTION4chain A and (resid 66:101 or resid 181:268 or resid 285:368)
5X-RAY DIFFRACTION5chain E and (resid 1:25 or resid 39:65 or resid 153:180 or resid 269:284)
6X-RAY DIFFRACTION6chain E and resid 102:152
7X-RAY DIFFRACTION7chain E and (resid 26:38 or resid 369:461)
8X-RAY DIFFRACTION8chain E and (resid 66:101 or resid 181:268 or resid 285:368)
9X-RAY DIFFRACTION9chain I and (resid 1:25 or resid 39:65 or resid 153:180 or resid 269:284)
10X-RAY DIFFRACTION10chain I and resid 102:152
11X-RAY DIFFRACTION11chain I and (resid 26:38 or resid 369:461)
12X-RAY DIFFRACTION12chain I and (resid 66:101 or resid 181:268 or resid 285:368)
13X-RAY DIFFRACTION13chain M and (resid 1:25 or resid 39:65 or resid 153:180 or resid 269:284)
14X-RAY DIFFRACTION14chain M and resid 102:152
15X-RAY DIFFRACTION15chain M and (resid 26:38 or resid 369:461)
16X-RAY DIFFRACTION16chain M and (resid 66:101 or resid 181:268 or resid 285:368)
17X-RAY DIFFRACTION17(chain B and resid 595:599) or (chain D and resid 1:4)
18X-RAY DIFFRACTION18(chain B and resid 600:613) or (chain C and resid 688:702)
19X-RAY DIFFRACTION19(chain F and resid 595:599) or (chain H and resid 1:4)
20X-RAY DIFFRACTION20(chain F and resid 600:613) or (chain G and resid 688:702)
21X-RAY DIFFRACTION21(chain J and resid 596:599) or (chain L and resid 1:3)
22X-RAY DIFFRACTION22(chain J and resid 600:613) or (chain K and resid 688:702)
23X-RAY DIFFRACTION23(chain N and resid 596:599) or (chain P and resid 1:3)
24X-RAY DIFFRACTION24(chain N and resid 600:613) or (chain O and resid 688:702)

+
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