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- PDB-4v4k: Bacteriophage P22 Portal Protein bound to middle Tail Factor GP4.... -

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Basic information

Entry
Database: PDB / ID: 4v4k
TitleBacteriophage P22 Portal Protein bound to middle Tail Factor GP4. This file contain the second biological assembly
Components
  • PACKAGED DNA STABILIZATION PROTEIN GP4
  • PORTAL PROTEIN
KeywordsVIRAL PROTEIN / PORTAL PROTEIN / DNA EJECTION / MOLECULAR MOTOR / DNA PACKAGING / PODOVIRIDAE / VIRUS ASSEMBLY / LATE PROTEIN
Function / homology
Function and homology information


viral DNA genome packaging, headful / disruption by virus of host cell wall peptidoglycan during virus entry / viral portal complex / virus tail / viral genome ejection through host cell envelope, short tail mechanism / viral DNA genome packaging / virion assembly / hydrolase activity
Similarity search - Function
Peptidoglycan hydrolase Gp4 superfamily / Tail accessory factor GP4 / P22 tail accessory factor / Phage P22-like portal protein / Phage P22-like portal protein
Similarity search - Domain/homology
Portal protein / Peptidoglycan hydrolase gp4
Similarity search - Component
Biological speciesENTEROBACTERIA PHAGE P22 (bacteriophage)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 3.251 Å
AuthorsOlia, A.S. / Cingolani, G.
CitationJournal: Nat.Struct.Mol.Biol. / Year: 2011
Title: Three-dimensional structure of a viral genome-delivery portal vertex.
Authors: Olia, A.S. / Prevelige, P.E. / Johnson, J.E. / Cingolani, G.
History
DepositionApr 19, 2010Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 9, 2014Provider: repository / Type: Initial release
SupersessionDec 10, 2014ID: 3LJ4, 1VT0
Revision 1.1Dec 10, 2014Group: Other
Revision 1.2Nov 22, 2017Group: Refinement description / Category: software
Item: _software.classification / _software.name / _software.version

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
M: PORTAL PROTEIN
N: PORTAL PROTEIN
O: PORTAL PROTEIN
P: PORTAL PROTEIN
Q: PORTAL PROTEIN
R: PORTAL PROTEIN
S: PORTAL PROTEIN
T: PORTAL PROTEIN
U: PORTAL PROTEIN
V: PORTAL PROTEIN
W: PORTAL PROTEIN
X: PORTAL PROTEIN
k: PACKAGED DNA STABILIZATION PROTEIN GP4
l: PACKAGED DNA STABILIZATION PROTEIN GP4
m: PACKAGED DNA STABILIZATION PROTEIN GP4
n: PACKAGED DNA STABILIZATION PROTEIN GP4
o: PACKAGED DNA STABILIZATION PROTEIN GP4
p: PACKAGED DNA STABILIZATION PROTEIN GP4
q: PACKAGED DNA STABILIZATION PROTEIN GP4
r: PACKAGED DNA STABILIZATION PROTEIN GP4
s: PACKAGED DNA STABILIZATION PROTEIN GP4
t: PACKAGED DNA STABILIZATION PROTEIN GP4
u: PACKAGED DNA STABILIZATION PROTEIN GP4
v: PACKAGED DNA STABILIZATION PROTEIN GP4
A: PORTAL PROTEIN
B: PORTAL PROTEIN
C: PORTAL PROTEIN
D: PORTAL PROTEIN
E: PORTAL PROTEIN
F: PORTAL PROTEIN
G: PORTAL PROTEIN
H: PORTAL PROTEIN
I: PORTAL PROTEIN
J: PORTAL PROTEIN
K: PORTAL PROTEIN
L: PORTAL PROTEIN
Y: PACKAGED DNA STABILIZATION PROTEIN GP4
Z: PACKAGED DNA STABILIZATION PROTEIN GP4
a: PACKAGED DNA STABILIZATION PROTEIN GP4
b: PACKAGED DNA STABILIZATION PROTEIN GP4
c: PACKAGED DNA STABILIZATION PROTEIN GP4
d: PACKAGED DNA STABILIZATION PROTEIN GP4
e: PACKAGED DNA STABILIZATION PROTEIN GP4
f: PACKAGED DNA STABILIZATION PROTEIN GP4
g: PACKAGED DNA STABILIZATION PROTEIN GP4
h: PACKAGED DNA STABILIZATION PROTEIN GP4
i: PACKAGED DNA STABILIZATION PROTEIN GP4
j: PACKAGED DNA STABILIZATION PROTEIN GP4


Theoretical massNumber of molelcules
Total (without water)2,114,07448
Polymers2,114,07448
Non-polymers00
Water9,296516
1
M: PORTAL PROTEIN
N: PORTAL PROTEIN
O: PORTAL PROTEIN
P: PORTAL PROTEIN
Q: PORTAL PROTEIN
R: PORTAL PROTEIN
S: PORTAL PROTEIN
T: PORTAL PROTEIN
U: PORTAL PROTEIN
V: PORTAL PROTEIN
W: PORTAL PROTEIN
X: PORTAL PROTEIN
k: PACKAGED DNA STABILIZATION PROTEIN GP4
l: PACKAGED DNA STABILIZATION PROTEIN GP4
m: PACKAGED DNA STABILIZATION PROTEIN GP4
n: PACKAGED DNA STABILIZATION PROTEIN GP4
o: PACKAGED DNA STABILIZATION PROTEIN GP4
p: PACKAGED DNA STABILIZATION PROTEIN GP4
q: PACKAGED DNA STABILIZATION PROTEIN GP4
r: PACKAGED DNA STABILIZATION PROTEIN GP4
s: PACKAGED DNA STABILIZATION PROTEIN GP4
t: PACKAGED DNA STABILIZATION PROTEIN GP4
u: PACKAGED DNA STABILIZATION PROTEIN GP4
v: PACKAGED DNA STABILIZATION PROTEIN GP4


Theoretical massNumber of molelcules
Total (without water)1,057,03724
Polymers1,057,03724
Non-polymers00
Water21612
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area190420 Å2
ΔGint-578 kcal/mol
Surface area325430 Å2
MethodPISA
2
A: PORTAL PROTEIN
B: PORTAL PROTEIN
C: PORTAL PROTEIN
D: PORTAL PROTEIN
E: PORTAL PROTEIN
F: PORTAL PROTEIN
G: PORTAL PROTEIN
H: PORTAL PROTEIN
I: PORTAL PROTEIN
J: PORTAL PROTEIN
K: PORTAL PROTEIN
L: PORTAL PROTEIN
Y: PACKAGED DNA STABILIZATION PROTEIN GP4
Z: PACKAGED DNA STABILIZATION PROTEIN GP4
a: PACKAGED DNA STABILIZATION PROTEIN GP4
b: PACKAGED DNA STABILIZATION PROTEIN GP4
c: PACKAGED DNA STABILIZATION PROTEIN GP4
d: PACKAGED DNA STABILIZATION PROTEIN GP4
e: PACKAGED DNA STABILIZATION PROTEIN GP4
f: PACKAGED DNA STABILIZATION PROTEIN GP4
g: PACKAGED DNA STABILIZATION PROTEIN GP4
h: PACKAGED DNA STABILIZATION PROTEIN GP4
i: PACKAGED DNA STABILIZATION PROTEIN GP4
j: PACKAGED DNA STABILIZATION PROTEIN GP4


Theoretical massNumber of molelcules
Total (without water)1,057,03724
Polymers1,057,03724
Non-polymers00
Water21612
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area190300 Å2
ΔGint-580 kcal/mol
Surface area325380 Å2
MethodPISA
Unit cell
γ
α
β
Length a, b, c (Å)170.172, 253.284, 282.730
Angle α, β, γ (deg.)90.00, 90.68, 90.00
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
41
51
61
71
81
91
101
111
121
131
141
151
161
171
181
191
201
211
221
231
241
12
22
32
42
52
62
72
82
92
102
112
122
132
142
152
162
172
182
192
202
212
222
232
242

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection details
111chain A
211chain B
311chain C
411chain D
511chain E
611chain F
711chain G
811chain H
911chain I
1011chain J
1111chain K
1211chain L
1311chain M
1411chain N
1511chain O
1611chain P
1711chain Q
1811chain R
1911chain S
2011chain T
2111chain U
2211chain V
2311chain W
2411chain X
112chain Y
212chain Z
312chain a
412chain b
512chain c
612chain d
712chain e
812chain f
912chain g
1012chain h
1112chain i
1212chain j
1312chain k
1412chain l
1512chain m
1612chain n
1712chain o
1812chain p
1912chain q
2012chain r
2112chain s
2212chain t
2312chain u
2412chain v

NCS ensembles:
ID
1
2

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Components

#1: Protein ...
PORTAL PROTEIN / PROTEIN GP1


Mass: 70015.430 Da / Num. of mol.: 24 / Fragment: UNP RESIDUES 1-602
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) ENTEROBACTERIA PHAGE P22 (bacteriophage)
Gene: 1, GP1 / Plasmid: PET-22 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: P26744
#2: Protein ...
PACKAGED DNA STABILIZATION PROTEIN GP4


Mass: 18070.996 Da / Num. of mol.: 24 / Fragment: UNP RESIDUES 1-166 / Mutation: YES
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) ENTEROBACTERIA PHAGE P22 (bacteriophage)
Gene: 4, GP4 / Plasmid: PET-15B / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: P26746
#3: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 516 / 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: 2.87 Å3/Da / Density % sol: 57.18 %
Crystal growpH: 6
Details: 20% PEG 8000, 0.1M (NH4)2HPO4, 0.1M MES, PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: CHESS / Beamline: A1 / Wavelength: 0.987
DetectorType: ADSC QUANTUM 210 / Detector: CCD / Date: May 1, 2006
RadiationMonochromator: ASYMMETRIC CUT SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.987 Å / Relative weight: 1
ReflectionResolution: 3.25→100 Å / Num. obs: 484105 / % possible obs: 92.2 % / Observed criterion σ(I): 1 / Redundancy: 2.9 % / Rsym value: 0.149 / Net I/σ(I): 8.7
Reflection shellResolution: 3.25→3.37 Å / Redundancy: 2.2 % / Mean I/σ(I) obs: 1.6 / Rsym value: 0.573 / % possible all: 73.6

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Processing

Software
NameVersionClassification
PHASERphasing
DMmodel building
PHENIX(PHENIX.REFINE: 1.5_2)refinement
HKL-2000data reduction
HKL-2000data scaling
DMphasing
RefinementResolution: 3.251→19.991 Å / SU ML: 0.33 / σ(F): 0 / Phase error: 24.11 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2365 2341 53 %
Rwork0.2223 --
Obs0.2224 441596 59.74 %
Solvent computationShrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 36.697 Å2 / ksol: 0.268 e/Å3
Displacement parameters
Baniso -1Baniso -2Baniso -3
1-4.6698 Å20 Å22.4346 Å2
2--0.0724 Å2-0 Å2
3----9.2017 Å2
Refinement stepCycle: LAST / Resolution: 3.251→19.991 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms67392 0 0 252 67644
Refine LS restraints
Refinement-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.006137592
X-RAY DIFFRACTIONf_angle_d0.972186744
X-RAY DIFFRACTIONf_dihedral_angle_d22.54684984
X-RAY DIFFRACTIONf_chiral_restr0.0720208
X-RAY DIFFRACTIONf_plane_restr0.00424840
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefinement-IDTypeRms dev position (Å)
11A4585X-RAY DIFFRACTIONPOSITIONAL
12B4585X-RAY DIFFRACTIONPOSITIONAL0.022
13C4585X-RAY DIFFRACTIONPOSITIONAL0.023
14D4585X-RAY DIFFRACTIONPOSITIONAL0.024
15E4585X-RAY DIFFRACTIONPOSITIONAL0.024
16F4585X-RAY DIFFRACTIONPOSITIONAL0.023
17G4585X-RAY DIFFRACTIONPOSITIONAL0.023
18H4585X-RAY DIFFRACTIONPOSITIONAL0.023
19I4585X-RAY DIFFRACTIONPOSITIONAL0.024
110J4585X-RAY DIFFRACTIONPOSITIONAL0.025
111K4585X-RAY DIFFRACTIONPOSITIONAL0.024
112L4585X-RAY DIFFRACTIONPOSITIONAL0.023
113M4585X-RAY DIFFRACTIONPOSITIONAL0.023
114N4585X-RAY DIFFRACTIONPOSITIONAL0.024
115O4585X-RAY DIFFRACTIONPOSITIONAL0.024
116P4585X-RAY DIFFRACTIONPOSITIONAL0.024
117Q4585X-RAY DIFFRACTIONPOSITIONAL0.025
118R4585X-RAY DIFFRACTIONPOSITIONAL0.023
119S4585X-RAY DIFFRACTIONPOSITIONAL0.024
120T4585X-RAY DIFFRACTIONPOSITIONAL0.024
121U4585X-RAY DIFFRACTIONPOSITIONAL0.024
122V4585X-RAY DIFFRACTIONPOSITIONAL0.024
123W4585X-RAY DIFFRACTIONPOSITIONAL0.025
124X4585X-RAY DIFFRACTIONPOSITIONAL0.023
21Y1052X-RAY DIFFRACTIONPOSITIONAL
22Z1052X-RAY DIFFRACTIONPOSITIONAL0.02
23A1052X-RAY DIFFRACTIONPOSITIONAL0.022
24B1052X-RAY DIFFRACTIONPOSITIONAL0.022
25C1052X-RAY DIFFRACTIONPOSITIONAL0.023
26D1052X-RAY DIFFRACTIONPOSITIONAL0.023
27E1052X-RAY DIFFRACTIONPOSITIONAL0.023
28F1052X-RAY DIFFRACTIONPOSITIONAL0.023
29G1052X-RAY DIFFRACTIONPOSITIONAL0.027
210H1052X-RAY DIFFRACTIONPOSITIONAL0.023
211I1052X-RAY DIFFRACTIONPOSITIONAL0.024
212J1052X-RAY DIFFRACTIONPOSITIONAL0.021
213k1052X-RAY DIFFRACTIONPOSITIONAL0.023
214l1052X-RAY DIFFRACTIONPOSITIONAL0.023
215m1052X-RAY DIFFRACTIONPOSITIONAL0.023
216n1052X-RAY DIFFRACTIONPOSITIONAL0.025
217o1052X-RAY DIFFRACTIONPOSITIONAL0.024
218p1052X-RAY DIFFRACTIONPOSITIONAL0.023
219q1052X-RAY DIFFRACTIONPOSITIONAL0.023
220r1052X-RAY DIFFRACTIONPOSITIONAL0.025
221s1052X-RAY DIFFRACTIONPOSITIONAL0.022
222t1052X-RAY DIFFRACTIONPOSITIONAL0.024
223u1052X-RAY DIFFRACTIONPOSITIONAL0.024
224v1052X-RAY DIFFRACTIONPOSITIONAL0.023
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefinement-ID% reflection obs (%)
3.251-3.31760.3744500.393611304X-RAY DIFFRACTION26
3.3176-3.38940.3613760.366115308X-RAY DIFFRACTION35
3.3894-3.46780.3578890.350416873X-RAY DIFFRACTION39
3.4678-3.55410.29771130.33118513X-RAY DIFFRACTION43
3.5541-3.64960.358990.30620351X-RAY DIFFRACTION47
3.6496-3.75630.32951050.278122650X-RAY DIFFRACTION52
3.7563-3.87670.28751260.24824014X-RAY DIFFRACTION55
3.8767-4.01420.2941290.221825116X-RAY DIFFRACTION58
4.0142-4.17350.23641810.207426563X-RAY DIFFRACTION61
4.1735-4.36160.18231800.183527908X-RAY DIFFRACTION64
4.3616-4.58890.15051190.166329085X-RAY DIFFRACTION67
4.5889-4.87250.18511550.173330086X-RAY DIFFRACTION69
4.8725-5.24250.23041290.194331130X-RAY DIFFRACTION72
5.2425-5.75860.2091490.204533393X-RAY DIFFRACTION77
5.7586-6.56590.25862600.211435321X-RAY DIFFRACTION82
6.5659-8.1770.20122320.208335878X-RAY DIFFRACTION83
8.177-19.9910.20941490.21635762X-RAY DIFFRACTION83
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)
10.0071-0.0049-0.0234-0.01160.0293-0.0360.0526-0.0228-0.05190.189-0.0530.0830.0492-0.00240-0.28950.3181-0.0983-0.07440.13140.039357.4481-50.4482130.0939
20.02460.0184-0.01410.0549-0.0210.0153-0.03310.0169-0.12930.0564-0.02470.10550.0558-0.009500.02950.07590.00840.05780.02320.077134.6387-54.8561119.2555
3-0.02840.0103-0.0702-0.01790.0675-0.0474-0.0427-0.0984-0.08340.0417-0.04630.0648-0.0206-0.0256-00.0677-0.00140.03720.0433-0.02750.057412.8447-46.0138108.9133
40.06030.0325-0.0037-0.00810.0141-0.0066-0.03490.0002-0.0762-0.1035-0.0733-0.1288-0.020.1260-0.14310.1051-0.12240.0519-0.0152-0.2461-5.9346-1.082100.1329
5-0.00660.0083-0.0155-0.01430.0278-0.0011-0.0276-0.0929-0.14740.0282-0.0360.1002-0.0035-0.0287-0-0.00520.0366-0.00420.0095-0.0695-0.0201-2.0689-26.3661101.9011
60.00710.040.0132-0.0063-0.00740.0089-0.0432-0.01930.023-0.0668-0.0119-0.0775-0.03260.024800.0760.0207-0.03970.08270.0039-0.08342.113822.9917103.9586
70.0019-0.0479-0.0048-0.02070.00340.01070.0064-0.0194-0.0159-0.0485-0.0122-0.0783-0.02250.026700.14530.0270.01760.07450.02740.051319.969139.3001112.4591
80.0046-0.0013-0.030.0061-0.01360.0079-0.0014-0.03580.1122-0.04780.0479-0.2162-0.02630.0991-00.0609-0.06810.06490.00070.0933-0.018542.818943.6147123.3638
90.044-0.0276-0.01140.01210.0163-0.0052-0.0386-0.05980.0845-0.02620.0381-0.19520.05130.1090-0.0371-0.15310.06370.00190.01030.1364.507534.6715133.7274
100.0287-0.07140.00920.0218-0.01380.0306-0.0395-0.08190.0663-0.01320.0158-0.30080.00640.0744-0-0.0289-0.04510.0060.1513-0.01260.182679.393415.0712140.8594
110.0196-0.03420.02170.05460.03960.0302-0.0355-0.06140.00360.06480.0811-0.22470.01790.05850-0.17950.0291-0.05820.17620.0090.102683.3745-10.1701142.6925
12-0.0037-0.069-0.0101-0.0989-0.0990.0015-0.01430.0868-0.1053-0.07580.1414-0.3069-0.01740.063-0-0.28220.2342-0.21150.00910.1302-0.130875.3122-34.1388138.6938
13-0.1211-0.0385-0.0937-0.0653-0.1153-0.05120.07450.0778-0.0148-0.06270.1313-0.1116-0.06480.122-0-0.00310.14740.0239-0.61490.2139-0.1561-30.818853.0287-13.4716
14-0.3109-0.2079-0.1019-0.1776-0.125-0.0523-0.07860.13920.2988-0.06480.06760.0088-0.1444-0.02770-0.2910.39440.1274-0.60610.4448-0.7648-54.016854.3948-24.3605
15-0.18710.121-0.0983-0.0505-0.0466-0.07550.1013-0.0017-0.0135-0.09810.0647-0.08040.0253-0.0067-0-0.094-0.17360.0647-0.6958-0.0815-0.02-11.397838.9898-4.1923
16-0.07760.0918-0.0229-0.0670.04360.00010.02-0.04150.0226-0.1458-0.0964-0.23650.01930.02090-0.3559-0.3478-0.0476-0.3547-0.0946-0.0061-0.860516.29671.0154
17-0.0099-0.01480.0353-0.1055-0.06250.0041-0.02810.0323-0.0994-0.28530.0785-0.2639-0.008-0.0731-0-0.34110.1996-0.0614-0.20620.0232-0.0077-2.1918-9.28020.5759
18-0.0196-0.0110.0541-0.019-0.01450.0334-0.06540.1164-0.0566-0.18620.0867-0.06520.0112-0.08970-0.12590.15440.0568-0.2574-0.02480.0193-15.0295-30.6218-5.3937
19-0.047-0.0026-0.0077-0.03870.0385-0.0234-0.1528-0.11910.1191-0.1503-0.0628-0.0221-0.0044-0.1501-0-0.1282-0.22130.035-0.18880.2172-0.61-78.4536-26.8972-35.2946
20-0.0825-0.07960.0591-0.09870.0787-0.0114-0.15610.0151-0.0847-0.24260.0132-0.10860.0323-0.0515-0-0.20970.0099-0.33070.08490.0839-0.5596-89.0244-4.1025-40.2463
21-0.0732-0.0075-0.04330.01160.0329-0.0240.00990.06050.0046-0.10180.0199-0.0252-0.0315-0.1608-0-0.1427-0.30310.0985-0.25560.1079-0.3609-58.9173-40.8433-26.0658
22-0.1851-0.2455-0.0445-0.1629-0.019-0.0247-0.20030.23580.0569-0.25560.1653-0.0097-0.1165-0.09640-0.220.4135-0.3229-0.29690.4933-0.6649-74.903942.967-34.0027
23-0.0354-0.02960.0055-0.10980.0215-0.009-0.04180.0008-0.0131-0.14260.0318-0.06690.0237-0.0303-0-0.19340.1295-0.33030.0420.1941-0.6125-87.717121.5386-39.7915
24-0.0225-0.0062-0.024-0.01010.0546-0.0313-0.01410.1374-0.1452-0.13480.0485-0.04290.0952-0.0269-0-0.0724-0.09830.0648-0.23510.0079-0.1496-35.7725-42.2195-15.103
25-0.002-0.0013-0.003-0.0055-0.00540.00210.0104-0.0026-0.04190.0678-0.00860.0338-0.0101-0.010200.235-0.02490.06840.11110.22460.16139.9339-47.8147188.1818
260.0012-0.0072-0.0007-0.0025-0.01090.00380.02820.0181-0.04740.0386-0.02390.03410.0052-0.003900.187-0.06090.18070.1620.15670.1924-9.3149-43.4565179.0593
27-0.00320.0023-0.0072-0.0107-0.0043-0.0010.0209-0.0163-0.04190.0405-0.020.04890.0061-0.003800.1077-0.04970.27590.16890.12230.2028-24.0968-29.1982172.0386
280.0075-0.0013-0.0012-0.0122-0.00070.00210.0154-0.0051-0.0380.0459-0.02580.0730.00940.001100.049-0.00210.1880.16610.01040.2368-30.4766-8.6405169.0864
29-0.00170.0009-0.00810.00260.0006-0.0012-0.0835-0.006-0.0192-0.0266-0.03480.064-0.01750.003-00.05430.11750.03580.0013-0.10090.0842-13.62928.8652177.2219
300.01180.00820.00970.00780.00480.0051-0.0355-0.0089-0.00740.01210.0032-0.0279-0.01750.0275-00.09190.0501-0.02780.076-0.11190.09374.940835.8791186.0765
310.0108-0.00380.0047-0.002-0.00220.0023-0.02220.0259-0.03650.0169-0.03650.05150.00480.0267-0-0.01160.14290.18360.0671-0.08730.1248-26.633312.6608170.9972
320.01310.00670.0127-0.01590.00810.0055-0.03750.0255-0.01590.02320.01750.0118-0.01920.0213-00.07910.0802-0.20820.1708-0.09090.015624.138131.7762195.1996
330.00240.0030.006-0.0109-0.00220.0026-0.0140.0184-0.02120.0032-0.03750.0370.0115-0.0045-00.10130.0729-0.27310.1565-0.1016-0.098438.796117.4813202.1824
34-0.0077-0.0045-0.00440.0120.0020.0025-0.0112-0.0328-0.02380.0318-0.0128-0.0249-0.0002-0.006800.30160.0847-0.07070.18510.08820.119841.3117-24.5449203.2811
35-0.0001-0.02250.0016-0.0008-0.00630.0012-0.0271-0.00220.00490.0102-0.0462-0.0295-0.0064-0.002200.19260.1529-0.20630.16150.0513-0.02245.0276-3.1721205.1472
36-0.0072-0.004-0.00510.003-0.00420.0042-0.003-0.0364-0.04120.05430.0312-0.0015-0.0156-0.022100.29960.0194-0.01610.14240.20110.159628.4517-40.8929197.0785
37-0.0043-0.0028-0.0050.0056-0.001-0.0027-0.0276-0.0091-0.0094-0.02690.0231-0.0362-0.0460.003200.07240.2174-0.0702-0.0267-0.01630.0681-69.739448.057148.8784
38-0.004-0.01360.001-0.0079-0.0016-0.0007-0.00380.03240.003-0.0603-0.0164-0.0935-0.02050.00860-0.03610.1313-0.2642-0.0807-0.0599-0.1559-40.488421.624962.8722
39-0.0031-0.0055-0.00640.01320.0013-0.0024-0.03470.04080.0192-0.0438-0.0096-0.0435-0.04460.0111-00.09860.2219-0.0919-0.037-0.12520.0043-51.841839.271257.4035
40-0.0038-0.00750.0111-0.01670.00040.0027-0.04450.0530.0002-0.0045-0.0469-0.0448-0.0202-0.0035-0-0.09190.0449-0.3273-0.01710.0476-0.1528-38.6435-0.000863.9174
41-0.0144-0.008-0.0063-0.0187-0.0031-0.0012-0.0496-0.02050.0014-0.0115-0.0489-0.05470.0048-0.02110-0.0698-0.0022-0.2708-0.09440.1364-0.2247-46.583-19.871260.2516
42-0.0025-0.007-0.00280.0054-0.00650.0010.00980.0051-0.0277-0.016-0.0243-0.061-0.00420.0067-00.0407-0.0971-0.0195-0.04640.1638-0.0443-62.4611-32.623552.8192
430.00260.00540.0036-0.0073-0.00370.00130.02080.0433-0.0312-0.02810.00450.0283-0.00490.01080-0.0975-0.18810.08350.02290.14220.0035-99.9076-25.782735.2124
44-0.00140.0086-0.0081-0.00510.0013-0.00060.02120.0413-0.03810.0034-0.0149-0.00760.00870.01730-0.0408-0.24220.0822-0.03990.19430.0238-82.0037-34.665843.6208
450.0049-0.01060-0.0069-0.00270.0017-0.0171-0.0016-0.02370.0137-0.03870.03870.00120.01120-0.13690.07770.13160.1143-0.00950.1361-113.411713.316728.5277
460.011-0.00090.0058-0.0185-0.00130.0011-0.01060.04250.00850.01-0.03180.0564-0.01790.0131-0-0.113-0.03430.14590.07670.13130.0783-111.4539-8.323629.6491
470.0166-0.01430.00260.0046-0.00690.0001-0.04370.0097-0.0098-0.0282-0.02990.0195-00.01590-0.0630.20430.04110.07820.0250.0563-105.25833.078332.2054
480.0059-0.0072-0.00560.01130.0043-0.0028-0.07570.0276-0.0248-0.03320.0141-0.0065-0.04390.0311-0-0.02180.26910.0423-0.0787-0.0260.0148-89.256545.758839.6865
Refinement TLS group
IDRefinement-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain A
2X-RAY DIFFRACTION2chain B
3X-RAY DIFFRACTION3chain C
4X-RAY DIFFRACTION4chain D
5X-RAY DIFFRACTION5chain E
6X-RAY DIFFRACTION6chain F
7X-RAY DIFFRACTION7chain G
8X-RAY DIFFRACTION8chain H
9X-RAY DIFFRACTION9chain I
10X-RAY DIFFRACTION10chain J
11X-RAY DIFFRACTION11chain K
12X-RAY DIFFRACTION12chain L
13X-RAY DIFFRACTION13chain M
14X-RAY DIFFRACTION14chain N
15X-RAY DIFFRACTION15chain O
16X-RAY DIFFRACTION16chain P
17X-RAY DIFFRACTION17chain Q
18X-RAY DIFFRACTION18chain R
19X-RAY DIFFRACTION19chain S
20X-RAY DIFFRACTION20chain T
21X-RAY DIFFRACTION21chain U
22X-RAY DIFFRACTION22chain V
23X-RAY DIFFRACTION23chain W
24X-RAY DIFFRACTION24chain X
25X-RAY DIFFRACTION25chain Y
26X-RAY DIFFRACTION26chain Z
27X-RAY DIFFRACTION27chain a
28X-RAY DIFFRACTION28chain b
29X-RAY DIFFRACTION29chain c
30X-RAY DIFFRACTION30chain d
31X-RAY DIFFRACTION31chain e
32X-RAY DIFFRACTION32chain f
33X-RAY DIFFRACTION33chain g
34X-RAY DIFFRACTION34chain h
35X-RAY DIFFRACTION35chain i
36X-RAY DIFFRACTION36chain j
37X-RAY DIFFRACTION37chain k
38X-RAY DIFFRACTION38chain l
39X-RAY DIFFRACTION39chain m
40X-RAY DIFFRACTION40chain n
41X-RAY DIFFRACTION41chain o
42X-RAY DIFFRACTION42chain p
43X-RAY DIFFRACTION43chain q
44X-RAY DIFFRACTION44chain r
45X-RAY DIFFRACTION45chain s
46X-RAY DIFFRACTION46chain t
47X-RAY DIFFRACTION47chain u
48X-RAY DIFFRACTION48chain v

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