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- PDB-5vao: Crystal structure of eVP30 C-terminus and eNP peptide -

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Basic information

Entry
Database: PDB / ID: 5vao
TitleCrystal structure of eVP30 C-terminus and eNP peptide
Components
  • Minor nucleoprotein VP30
  • NP
KeywordsVIRAL PROTEIN / functional class / known biologyical activity
Function / homology
Function and homology information


viral RNA genome packaging / helical viral capsid / viral nucleocapsid / host cell cytoplasm / ribonucleoprotein complex / RNA binding / zinc ion binding / identical protein binding
Similarity search - Function
Four Helix Bundle (Hemerythrin (Met), subunit A) - #1160 / Transcriptional activator VP30, Filoviridae type / Ebola virus-specific transcription factor VP30 / Ebola nucleoprotein / Ebola nucleoprotein / Four Helix Bundle (Hemerythrin (Met), subunit A) / Up-down Bundle / Mainly Alpha
Similarity search - Domain/homology
DI(HYDROXYETHYL)ETHER / Nucleoprotein / Nucleoprotein / Transcriptional activator VP30
Similarity search - Component
Biological speciesEbola virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.56 Å
AuthorsXU, W. / Leung, D.W. / Amarasinghe, G.K.
CitationJournal: Nat Commun / Year: 2017
Title: Ebola virus VP30 and nucleoprotein interactions modulate viral RNA synthesis.
Authors: Xu, W. / Luthra, P. / Wu, C. / Batra, J. / Leung, D.W. / Basler, C.F. / Amarasinghe, G.K.
History
DepositionMar 27, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 21, 2017Provider: repository / Type: Initial release
Revision 1.1Mar 6, 2024Group: 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_struct_conn_angle / struct_conn / struct_ncs_dom_lim
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_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr1_symmetry / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.ptnr3_symmetry / _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.ptnr1_symmetry / _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_conn.ptnr2_symmetry / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Minor nucleoprotein VP30
B: Minor nucleoprotein VP30
C: Minor nucleoprotein VP30
D: Minor nucleoprotein VP30
E: NP
F: NP
G: NP
H: NP
hetero molecules


Theoretical massNumber of molelcules
Total (without water)64,26826
Polymers63,0458
Non-polymers1,22318
Water2,018112
1
A: Minor nucleoprotein VP30
F: NP


Theoretical massNumber of molelcules
Total (without water)15,7612
Polymers15,7612
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1330 Å2
ΔGint-8 kcal/mol
Surface area8360 Å2
MethodPISA
2
B: Minor nucleoprotein VP30
E: NP
hetero molecules


Theoretical massNumber of molelcules
Total (without water)16,2649
Polymers15,7612
Non-polymers5037
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1250 Å2
ΔGint-6 kcal/mol
Surface area8430 Å2
MethodPISA
3
C: Minor nucleoprotein VP30
H: NP
hetero molecules


Theoretical massNumber of molelcules
Total (without water)15,9955
Polymers15,7612
Non-polymers2343
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1230 Å2
ΔGint-6 kcal/mol
Surface area8460 Å2
MethodPISA
4
D: Minor nucleoprotein VP30
G: NP
hetero molecules


Theoretical massNumber of molelcules
Total (without water)16,24810
Polymers15,7612
Non-polymers4868
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1110 Å2
ΔGint-6 kcal/mol
Surface area8700 Å2
MethodPISA
Unit cell
Length a, b, c (Å)139.478, 139.478, 161.467
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number98
Space group name H-MI4122
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
12A
22C
13A
23D
14B
24C
15B
25D
16C
26D
17E
27F
18E
28G
19E
29H
110F
210G
111F
211H
112G
212H

NCS domain segments:

Component-ID: 0 / Refine code: 0

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11PROPROVALVALAA140 - 2652 - 127
21PROPROVALVALBB140 - 2652 - 127
12PROPROVALVALAA140 - 2652 - 127
22PROPROVALVALCC140 - 2652 - 127
13PROPROVALVALAA140 - 2652 - 127
23PROPROVALVALDD140 - 2652 - 127
14GLYGLYGLNGLNBB139 - 2671 - 129
24GLYGLYGLNGLNCC139 - 2671 - 129
15GLYGLYGLNGLNBB139 - 2671 - 129
25GLYGLYGLNGLNDD139 - 2671 - 129
16GLYGLYGLNGLNCC139 - 2671 - 129
26GLYGLYGLNGLNDD139 - 2671 - 129
17PROPROARGARGEE602 - 6121 - 11
27PROPROARGARGFF602 - 6121 - 11
18PROPROARGARGEE602 - 6121 - 11
28PROPROARGARGGG602 - 6121 - 11
19PROPROARGARGEE602 - 6121 - 11
29PROPROARGARGHH602 - 6121 - 11
110PROPROARGARGFF602 - 6121 - 11
210PROPROARGARGGG602 - 6121 - 11
111PROPROARGARGFF602 - 6121 - 11
211PROPROARGARGHH602 - 6121 - 11
112PROPROARGARGGG602 - 6121 - 11
212PROPROARGARGHH602 - 6121 - 11

NCS ensembles :
ID
1
2
3
4
5
6
7
8
9
10
11
12

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Components

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Protein / Protein/peptide , 2 types, 8 molecules ABCDEFGH

#1: Protein
Minor nucleoprotein VP30 / Transcription activator VP30


Mass: 14592.928 Da / Num. of mol.: 4 / Fragment: UNP residues 139-267
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Ebola virus / Gene: VP30 / Plasmid: modified pET15b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q77DJ5
#2: Protein/peptide
NP


Mass: 1168.363 Da / Num. of mol.: 4 / Fragment: UNP residues 601-611
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Ebola virus / Plasmid: modified pET15b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: A0A0D5W865, UniProt: O72142*PLUS

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Non-polymers , 5 types, 130 molecules

#3: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C3H8O3
#4: Chemical
ChemComp-CL / CHLORIDE ION / Chloride


Mass: 35.453 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Cl
#5: Chemical
ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol


Mass: 106.120 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C4H10O3
#6: Chemical ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Ca
#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 112 / 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: 3.11 Å3/Da / Density % sol: 60.5 %
Crystal growTemperature: 297 K / Method: vapor diffusion / pH: 7 / Details: 0.2 M Calcium chloride dihydrate, 20%w/v PEG3350

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.9792601 Å
DetectorType: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Aug 20, 2015
RadiationMonochromator: Rosenbaum-Rock high-resolution double-crystal monochromator
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9792601 Å / Relative weight: 1
ReflectionResolution: 2.55→105.55 Å / Num. obs: 26327 / % possible obs: 99.7 % / Redundancy: 7.6 % / Rmerge(I) obs: 0.109 / Rpim(I) all: 0.042 / Rrim(I) all: 0.112 / Χ2: 1.826 / Net I/σ(I): 6.2
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsCC1/2Rpim(I) allΧ2% possible allRrim(I) all
2.55-2.594.30.9820.5780.4970.69894.9
2.59-2.645.20.9390.680.4330.75798.6
2.64-2.696.20.8570.7440.3651.03799.90.933
2.69-2.757.50.7930.8160.3070.74499.90.851
2.75-2.8180.7220.860.2720.731000.772
2.81-2.878.10.6330.9070.2370.7231000.677
2.87-2.948.20.5050.930.1880.7491000.539
2.94-3.028.20.4480.9360.1670.7691000.478
3.02-3.118.20.3450.9570.1290.8431000.369
3.11-3.218.20.2790.9740.1040.8021000.298
3.21-3.338.20.2070.9870.0770.8171000.221
3.33-3.468.10.1760.9910.0661.0211000.188
3.46-3.628.20.1220.9950.0460.9311000.13
3.62-3.818.10.1040.9950.0391.1251000.111
3.81-4.058.10.0760.9970.0291.1391000.081
4.05-4.3680.0640.9970.0241.3791000.069
4.36-4.880.0610.9980.0231.4411000.065
4.8-5.497.90.0640.9970.0241.9511000.068
5.49-6.927.70.070.9950.0272.5281000.075
6.92-507.30.0530.990.02115.2041000.057

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Processing

Software
NameVersionClassification
HKL-3000data scaling
REFMAC5.8.0158refinement
PDB_EXTRACT3.22data extraction
HKL-3000data reduction
PHASERphasing
RefinementResolution: 2.56→105.55 Å / Cor.coef. Fo:Fc: 0.94 / Cor.coef. Fo:Fc free: 0.912 / SU B: 18.384 / SU ML: 0.193 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.638 / ESU R Free: 0.286
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED
RfactorNum. reflection% reflectionSelection details
Rfree0.225 1144 5.1 %RANDOM
Rwork0.183 ---
obs0.1851 21271 86.2 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
Displacement parametersBiso max: 151.38 Å2 / Biso mean: 44.998 Å2 / Biso min: 8.51 Å2
Baniso -1Baniso -2Baniso -3
1-0.03 Å2-0 Å20 Å2
2--0.03 Å2-0 Å2
3----0.05 Å2
Refinement stepCycle: final / Resolution: 2.56→105.55 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4407 0 68 112 4587
Biso mean--69.9 33.15 -
Num. residues----558
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0080.0194565
X-RAY DIFFRACTIONr_bond_other_d0.0020.024474
X-RAY DIFFRACTIONr_angle_refined_deg1.2091.9816169
X-RAY DIFFRACTIONr_angle_other_deg0.914310344
X-RAY DIFFRACTIONr_dihedral_angle_1_deg4.485554
X-RAY DIFFRACTIONr_dihedral_angle_2_deg34.88822.865185
X-RAY DIFFRACTIONr_dihedral_angle_3_deg13.49215812
X-RAY DIFFRACTIONr_dihedral_angle_4_deg15.381542
X-RAY DIFFRACTIONr_chiral_restr0.070.2729
X-RAY DIFFRACTIONr_gen_planes_refined0.0040.0214863
X-RAY DIFFRACTIONr_gen_planes_other0.0010.02903
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-IDDom-IDAuth asym-IDNumberRms dev position (Å)
11A80080.07
12B80080.07
21A78780.09
22C78780.09
31A78980.08
32D78980.08
41B80660.08
42C80660.08
51B81140.07
52D81140.07
61C80300.09
62D80300.09
71E4180.17
72F4180.17
81E4240.07
82G4240.07
91E4280.11
92H4280.11
101F4180.19
102G4180.19
111F4180.17
112H4180.17
121G4320.09
122H4320.09
LS refinement shellResolution: 2.558→2.625 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.214 10 -
Rwork0.353 95 -
all-105 -
obs--5.6 %
Refinement TLS params.

Method: refined / Refine-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)
15.9692.3576-0.52431.4808-1.43513.5388-0.37790.47250.2043-0.04180.0827-0.0060.5250.05920.29520.7119-0.07030.07520.1191-0.06410.2001-30.9187-40.7071-47.8286
29.0812-1.569-2.95593.74752.26932.0771-0.2336-0.078-0.2434-0.048-0.03460.02250.03880.02260.26820.13410.0071-0.02290.1207-0.02460.2115-22.4089-39.1014-45.0214
37.0570.131-1.82892.4330.46780.5777-0.2256-0.1683-0.1101-0.12810.2113-0.08920.03220.08490.01430.12970.0227-0.02590.1536-0.0420.1531-15.8675-34.2866-45.7668
40.599-0.96521.80852.4609-1.39948.0343-0.0207-0.0470.0479-0.12390.0642-0.2202-0.33-0.2321-0.04350.1519-0.0459-0.02890.204-0.0440.1232-13.1209-27.3114-51.9891
50.43491.5811-0.738910.3729-0.10772.695-0.10450.0214-0.0663-0.19590.0065-0.28580.2664-0.07240.09810.15830.0024-0.0820.1925-0.00860.0839-21.5296-27.0918-55.7376
63.2521-0.5879-4.75481.50552.37328.5901-0.09790.28680.20970.03860.10380.22090.1768-0.2701-0.00590.1462-0.0036-0.10420.1622-0.01470.1928-28.8466-28.2384-46.9531
72.3011.1596-2.14021.13570.48596.43150.3053-0.00210.15880.2629-0.15650.08430.035-0.4319-0.14880.1202-0.0203-0.05210.1647-0.04660.1537-34.6499-26.767-36.316
86.4641-6.33972.155811.10233.27516.6662-0.1030.0829-0.050.3847-0.18940.32640.2579-0.10250.29240.08380.01630.00710.1487-0.06640.2105-26.8432-22.8139-31.9435
98.5182-2.06693.64310.67396.44096.84980.41920.08690.00220.1026-0.33760.0250.3415-0.0982-0.08160.0788-0.0432-0.02640.2575-0.19450.3226-19.496-21.982-32.5245
104.3897-7.0913-1.394317.32027.23774.68360.11570.11810.1256-0.0567-0.36310.12370.0685-0.1680.24740.0996-0.0127-0.01630.1279-0.02710.2095-18.8176-14.6555-33.7062
114.5851-1.53531.91393.0961-0.93480.8326-0.13230.070.02480.01290.12110.0343-0.0560.01080.01120.12540.0154-0.07220.1145-0.0580.2211-27.1533-14.1576-37.9123
122.9152-0.52921.05116.0699-3.66172.40780.1305-0.27720.633-0.5328-0.3008-0.17930.36760.04140.17030.14830.0338-0.10540.23580.04980.4752-31.9912-18.9739-42.3841
131.54361.02474.92920.68273.321417.1050.212-0.03940.05070.1293-0.03280.02560.5559-0.4142-0.17920.1520.0318-0.07420.1566-0.00170.237-38.0291-22.2834-47.0419
148.0648-5.82271.41157.559-4.31293.48130.11770.13120.5353-0.21510.0296-0.1310.143-0.1016-0.14730.10430.0249-0.10490.1458-0.01930.2048-30.6773-18.2838-50.7452
157.59642.6449-0.46965.4321-1.80080.6235-0.01360.38050.497-0.10930.08710.29840.0378-0.0016-0.07360.1264-0.0064-0.05950.14690.06360.1747-24.4235-16.047-52.9558
1612.2574-0.8259-5.90624.5752-4.11757.359-0.28260.1218-0.3570.0548-0.1775-0.24990.09490.12070.46010.0995-0.0106-0.07420.1998-0.00560.1808-16.9589-18.3944-50.6435
170.83710.6159-2.17737.8126-2.98485.9703-0.0939-0.1165-0.1169-0.1602-0.21650.20990.13930.35660.31040.1727-0.0531-0.12830.1542-0.01750.2039-19.6147-23.6942-44.0604
185.78644.7019-6.24416.8533-1.401711.18550.1348-0.2038-0.04330.1753-0.1652-0.0514-0.03980.21930.03040.17730.0446-0.03890.0865-0.01670.1381-23.5769-30.8577-36.2797
195.935410.2244-1.948819.3663-0.69864.67240.2392-0.11370.37030.31920.00450.567-0.22890.3563-0.24360.0997-0.03130.0140.1517-0.15130.1781-37.3536-33.295-27.4016
2010.52150.769-0.25240.37570.71671.7310.121-0.24740.21970.08290.0264-0.02250.13440.1729-0.14740.1676-0.0304-0.00980.1633-0.110.1293-33.3263-42.4522-26.2583
216.19012.1420.49814.87010.20610.0409-0.13030.0291-0.3156-0.16870.1611-0.0995-0.02010.0029-0.03070.1502-0.01330.02740.1484-0.00440.157837.1508-13.8067-10.6629
2210.70513.1277-2.03761.0826-0.42380.5642-0.13060.2333-0.0942-0.1220.04410.0315-0.0573-0.08410.08650.1467-0.0089-0.00690.1666-0.00560.129530.9889-15.1858-15.4388
235.13231.1828-0.94122.4782-3.20614.2258-0.26180.1122-0.189-0.15880.1128-0.11290.1919-0.11570.14890.1222-0.00740.00940.14260.03480.212620.6874-18.1048-14.1834
245.74213.21580.2544.33121.94071.2940.15310.15060.47170.53-0.37610.53740.3298-0.29020.22290.1548-0.03560.03220.28840.03080.118913.7978-13.2475-6.4056
257.22881.83351.38770.58430.52290.5150.0778-0.23410.19980.0818-0.0860.02960.1059-0.04950.00820.1253-0.0128-0.01010.21130.00540.149221.5927-8.0207-8.4593
261.3918-0.0914-1.37220.0169-0.217810.1638-0.00410.0829-0.0790.0066-0.01750.01-0.14170.13850.02150.1048-0.00320.01140.1633-0.00340.166628.0389-3.9964-16.3959
275.9916-1.38130.88184.27114.37975.44380.0678-0.29530.5045-0.0043-0.2133-0.03540.0357-0.33520.14540.04-0.0140.02030.2216-0.03080.190330.7036-1.3699-24.2076
285.32481.18032.48533.10110.04791.25660.4850.3855-0.07530.3683-0.3919-0.03370.1950.2438-0.09310.12550.01140.01540.22660.03140.164822.8152-3.1495-28.754
292.10460.07251.57190.1008-0.20171.8468-0.07540.2126-0.249-0.01250.0849-0.0856-0.0124-0.0595-0.00940.1296-0.01-0.00780.2201-0.04440.221215.2844-7.9331-28.6959
303.6119-2.84452.77567.7043-1.44612.23580.05850.29880.09730.014-0.18260.1130.03810.24760.12410.0806-0.02370.01190.17750.01820.17829.7982-2.4792-27.6986
316.18463.81791.76132.73471.23620.56040.12-0.02730.0263-0.0798-0.0797-0.1013-0.0263-0.0288-0.04030.1396-0.00290.00380.14790.01780.149716.13573.8158-24.7243
320.2744-1.1086-0.2186.37142.51881.6008-0.09180.0286-0.03450.07090.00820.2544-0.14080.09140.08360.1493-0.0085-0.0150.13510.01170.192323.1393.083-19.4506
334.0852-4.52033.23826.8622-7.0769.12530.32310.00760.3260.068-0.246-0.1825-0.53070.4698-0.07710.176-0.06560.01280.1693-0.11480.168626.49215.804-12.1977
344.55021.7238-0.73051.08931.38136.4304-0.0813-0.3371-0.3469-0.0899-0.1806-0.0918-0.1807-0.24510.26190.0976-0.00990.0130.2006-0.03740.192118.83071.0707-9.1611
356.50181.7244-0.5792.7885-1.92131.3935-0.0491-0.31340.02940.1176-0.0059-0.0536-0.0955-0.04410.0550.13220.00780.03610.1759-0.05190.185812.55722.0196-10.2415
365.7286-1.33270.58040.3382-0.40522.9408-0.1609-0.1235-0.2070.03150.01990.0364-0.0869-0.05970.1410.1445-0.00710.01730.14350.00310.153611.2893-6.8803-11.0567
374.4771-3.0377-2.48733.6753-0.47864.2979-0.0954-0.0054-0.02050.0064-0.0713-0.06540.17890.12970.16670.119-0.01550.05530.1542-0.00610.181118.511-9.3071-19.2261
3810.7875.4855-2.8854.4628-3.52263.32060.0475-0.03260.49470.08260.02330.2396-0.0776-0.0979-0.07080.0690.03260.02550.2209-0.05570.168128.5514-9.6431-27.7948
394.5003-6.9186-0.757712.42944.14485.1010.13520.14580.085-0.2435-0.2023-0.1109-0.147-0.05960.06710.13130.02940.00140.1937-0.00790.161438.3756-5.5847-35.2722
403.3702-0.3077-1.06580.89171.57732.87560.25340.4858-0.684-0.18090.0575-0.2562-0.3327-0.0032-0.31090.16720.00330.00680.2437-0.09290.264640.4679-15.855-34.3287
419.8706-1.20846.60798.54951.16484.8879-0.27180.22640.0007-0.06170.267-0.0328-0.2020.21590.00480.1528-0.0424-0.01620.1091-0.07140.2-5.2725-33.1334-31.6296
423.7656-3.2637-3.702612.12099.34927.6982-0.385-0.02390.1067-0.02920.43250.0040.12980.2964-0.04750.1540.0746-0.07330.1565-0.06360.12482.1946-32.8083-35.1544
4324.48772.9933-6.03551.22580.85714.6616-0.282-0.1947-0.13670.01640.17080.02650.38490.46660.11120.23660.0674-0.01110.1433-0.06850.16565.9203-35.5977-42.8588
440.3464-0.6158-2.84361.15.021725.07480.0279-0.002-0.0066-0.03430.0386-0.0119-0.9266-0.1607-0.06650.29840.06420.02870.2763-0.16330.16296.6098-33.8456-52.5993
4510.46627.6088-13.212919.94512.110926.2055-0.7336-0.0566-0.3671-0.10910.1157-0.0731.26480.20760.61790.19440.0368-0.0360.1776-0.11110.1101-3.1162-33.0978-52.1502
463.92951.96644.16771.03251.6168.98180.0130.2156-0.11550.02010.1131-0.059-0.16020.2672-0.12610.13460.0031-0.0420.1973-0.09550.1017-1.9288-25.4998-45.178
477.26633.19325.03582.22361.85193.6508-0.03830.00520.19370.0675-0.02340.2053-0.0440.00850.06170.1353-0.0205-0.03640.1716-0.01850.14282.7321-18.0405-34.2219
481.311-2.58481.19116.7054-0.72532.7617-0.12190.11-0.0373-0.0126-0.03820.1964-0.390.32060.16020.073-0.0599-0.02810.2604-0.00530.153911.9908-15.7675-37.681
498.5235-1.4833-1.19110.41350.18250.1704-0.0802-0.0638-0.29590.08430.04560.0911-0.00110.00560.03460.1989-0.01220.0270.2612-0.01720.040816.548-20.1889-45.4832
500.9686-2.554-0.00799.04195.117411.28610.1620.1879-0.0397-0.3924-0.31450.19690.02320.40610.15250.1426-0.05810.0670.27670.02680.098416.1192-12.4671-49.7234
5113.38134.31783.08691.43671.00250.71840.08140.01690.2230.0326-0.10120.0530.0107-0.01210.01980.16130.00320.04130.25930.04810.15728.6631-10.3344-46.0412
525.23370.07660.85165.1752-2.3972.7664-0.23930.40650.2378-0.09060.12990.0564-0.05680.0010.10940.095-0.0863-0.04540.21060.01140.12342.0664-13.3811-41.9752
536.5254-0.305-8.38788.1061-1.690911.31960.1903-0.01490.02330.2785-0.126-0.05-0.38240.0459-0.06430.1433-0.0221-0.05240.2161-0.01890.1392-6.3731-13.8209-42.3283
545.461-0.71434.76574.14472.64419.6889-0.10850.07190.0214-0.36660.405-0.1729-0.3675-0.203-0.29660.1538-0.0477-0.03880.2256-0.02550.0773-4.1647-18.4053-50.9002
551.6756-0.84790.94221.15021.91378.53360.27920.37250.3665-0.1786-0.086-0.31490.0760.4154-0.19320.1353-0.03180.06190.32280.01950.1222.6366-20.9709-56.093
5610.0715-2.2427-0.7781.06661.0011.2717-0.0970.4532-0.25320.01830.08260.06120.01170.25080.01440.1699-0.01590.00550.195-0.07540.06196.4221-24.3155-50.102
574.9814-2.1073-2.03240.89950.86490.8352-0.02120.3-0.21830.019-0.08450.08130.0099-0.09760.10570.07540.0137-0.05250.2587-0.08490.21028.9473-26.1467-40.3133
584.22970.24351.89690.01920.20074.3887-0.05520.50460.0841-0.02910.07330.0131-0.2645-0.0394-0.01810.1729-0.0799-0.02560.18430.00640.17511.4783-21.1999-31.2935
591.1950.2511.41756.7672-1.82332.41190.02620.06250.05420.0811-0.09660.01130.06530.02920.07040.1434-0.0110.00120.16130.00890.144111.2034-17.4174-20.4382
608.4496-0.70350.40069.2831-0.53950.0576-0.31080.2726-0.1710.23010.3355-0.27710.01250.028-0.02470.16550.1065-0.07360.177-0.0390.219413.2176-27.8546-18.471
611.56340.49442.50910.457-2.14744.8671-0.08530.03260.1683-0.4453-0.16740.1106-0.00510.11060.25270.05680.0109-0.02190.1828-0.01340.177712.1213-26.2753-27.4728
621.11031.86210.17835.0677-3.70498.3380.02030.0170.0146-0.08530.02650.07830.17280.0204-0.04680.13640.026-0.02380.128-0.01220.16856.107-31.0243-22.7974
637.6141-3.5632-0.45742.5974-2.18466.21850.0604-0.146-0.6697-0.04470.00020.3329-0.01190.0942-0.06070.1563-0.004-0.00450.06830.08820.27933.5975-33.1847-12.4428
646.8781-7.4932.64579.3363-5.55947.129-0.1172-0.08210.115-0.1720.1833-0.07430.6725-0.1931-0.06610.2369-0.0104-0.07360.1614-0.02860.03755.3247-27.9462-4.2294
651.7837-0.75562.17732.0095-1.77593.09030.17020.0311-0.10830.0974-0.04150.0770.11350.0603-0.12870.13780.0025-0.03460.16670.01920.17195.0647-21.6737-14.0375
666.9269-0.70713.10114.6231-0.28611.3965-0.0510.0019-0.3157-0.18560.1655-0.1195-0.0478-0.0142-0.11440.1167-0.0083-0.04110.17060.00350.1402-3.9658-19.931-26.4745
676.7806-1.1909-0.31153.5972-2.58642.07350.00830.1190.2865-0.0939-0.191-0.28560.07570.1270.18260.1104-0.08170.00410.11110.00180.2545-11.8191-22.8496-23.8955
689.3858-1.7055-1.66190.31080.30210.2944-0.0705-0.1631-0.15710.00360.03710.03190.01090.02890.03350.1431-0.0199-0.01610.13020.01350.1815-15.056-27.3094-16.9839
698.1989-4.3311-1.43684.9121.79190.66010.1277-0.1063-0.07860.0527-0.1331-0.01390.0341-0.05840.00540.1422-0.02850.03690.13320.05910.1647-15.6046-26.9307-11.6305
704.2916-1.0228-3.921.30041.71954.1642-0.41010.0804-0.1872-0.20650.10520.22950.14560.0250.30490.1383-0.03780.01240.14440.04560.2165-13.9268-17.3273-14.7301
712.9049-4.18523.51636.5616-3.67967.9099-0.2061-0.1997-0.05840.19650.30980.0528-0.5274-0.2638-0.10380.0847-0.0035-0.00840.1758-0.00030.1891-6.5941-14.7172-20.3427
725.96086.7389-4.50279.5811-1.50579.9666-0.1459-0.1675-0.0553-0.4261-0.04230.0404-0.3540.35950.18820.1191-0.0246-0.04570.13920.02320.1885-0.0886-9.9065-19.5613
731.15270.46432.04390.18730.82323.62550.1343-0.1736-0.0470.046-0.0627-0.01360.2314-0.2951-0.07160.151-0.0283-0.01950.220.00490.21180.6391-14.079-11.0378
745.17480.3607-1.87662.5013-0.08770.68220.0564-0.2169-0.1033-0.1871-0.0817-0.2021-0.02660.07270.02520.1324-0.03030.0040.17860.01610.1386-3.014-14.3774-5.9268
754.06971.19141.52930.36650.58621.66830.2317-0.0865-0.10440.0933-0.0265-0.05180.2782-0.0015-0.20530.1492-0.0102-0.00210.16940.01680.1557-2.027-23.7033-5.0953
769.48755.8603-3.01513.62-1.86270.95990.0832-0.252-0.23730.043-0.1453-0.1439-0.01970.07450.06210.1465-0.0047-0.04490.1450.03420.2647-3.9444-25.5252-13.7715
770.8963-1.1606-1.37321.50661.7812.1113-0.0214-0.0104-0.04130.0147-0.00170.04270.03060.01570.0230.17070.0068-0.05180.1155-0.00720.2339-4.1329-30.818-19.8979
784.1957-1.02441.55962.9596-2.73812.63120.1467-0.44410.0413-0.1390.14420.33830.1403-0.1885-0.29090.11950.0028-0.08250.1375-0.08940.2494-9.2209-26.6471-30.6492
798.3719-2.93191.4393.84672.44443.3322-0.10510.1113-0.0472-0.0508-0.04840.1816-0.10240.03220.15350.1430.0013-0.02620.1519-0.03370.1513-9.8911-27.2268-40.1801
802.81240.4419-3.1049.6777-5.5366.0789-0.02-0.3303-0.4661-0.5458-0.15660.56590.31870.4290.17650.12560.0012-0.04450.1695-0.08090.2514-5.0118-36.3216-40.4805
815.21264.49324.73464.35014.54545.6507-0.0248-0.053-0.1504-0.0190.1409-0.0276-0.1199-0.0287-0.1160.13420.0205-0.00880.16260.00680.142115.83789.3198-13.3674
824.22111.45264.95312.1772-0.91019.8901-0.0344-0.33290.5382-0.0759-0.1550.47240.0816-0.33080.18940.0995-0.01940.01170.158-0.0320.23676.3231-1.8889-22.2568
833.79840.1124-7.14050.0392-0.196613.47150.21970.72260.24420.07290.12390.0194-0.2851-1.3383-0.34360.36140.14430.12240.40870.09820.4872-30.1396-11.3224-49.3984
845.3839-1.29485.19661.24060.944410.2015-0.28320.24720.3052-0.0420.0262-0.0836-0.51320.43660.2570.1246-0.0137-0.07430.09240.01570.256-16.6564-11.9328-39.7432
853.1554-1.7323-2.04610.99431.31772.19950.0058-0.2390.175-0.03940.0488-0.0848-0.1655-0.2131-0.05460.13740.0168-0.02290.199-0.01460.2155-7.1666-7.9795-10.355
869.5862.3818-1.14375.6356-3.31281.95520.34590.0699-0.05060.2411-0.12050.3691-0.13580.0735-0.22550.1428-0.05260.03430.110.0330.1687-14.4365-22.6644-4.9135
873.8035-3.384-5.87239.75734.7029.1181-0.05790.4246-0.00860.02350.09760.55160.0696-0.6401-0.03970.1753-0.0941-0.0290.3252-0.01630.0702-1.7697-8.9527-51.916
887.5844-4.38950.92492.66-0.53490.19620.43050.19760.5829-0.3748-0.3056-0.35180.01970.021-0.12480.34310.05890.15810.41460.01590.491313.4417-16.2817-55.5317
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A140 - 148
2X-RAY DIFFRACTION2A149 - 153
3X-RAY DIFFRACTION3A154 - 158
4X-RAY DIFFRACTION4A159 - 163
5X-RAY DIFFRACTION5A164 - 169
6X-RAY DIFFRACTION6A170 - 179
7X-RAY DIFFRACTION7A180 - 186
8X-RAY DIFFRACTION8A187 - 192
9X-RAY DIFFRACTION9A193 - 196
10X-RAY DIFFRACTION10A197 - 202
11X-RAY DIFFRACTION11A203 - 210
12X-RAY DIFFRACTION12A211 - 214
13X-RAY DIFFRACTION13A215 - 220
14X-RAY DIFFRACTION14A221 - 226
15X-RAY DIFFRACTION15A227 - 230
16X-RAY DIFFRACTION16A231 - 235
17X-RAY DIFFRACTION17A236 - 242
18X-RAY DIFFRACTION18A243 - 250
19X-RAY DIFFRACTION19A251 - 257
20X-RAY DIFFRACTION20A258 - 266
21X-RAY DIFFRACTION21B139 - 145
22X-RAY DIFFRACTION22B146 - 151
23X-RAY DIFFRACTION23B152 - 159
24X-RAY DIFFRACTION24B160 - 165
25X-RAY DIFFRACTION25B166 - 173
26X-RAY DIFFRACTION26B174 - 179
27X-RAY DIFFRACTION27B180 - 184
28X-RAY DIFFRACTION28B185 - 192
29X-RAY DIFFRACTION29B193 - 196
30X-RAY DIFFRACTION30B197 - 203
31X-RAY DIFFRACTION31B204 - 209
32X-RAY DIFFRACTION32B210 - 216
33X-RAY DIFFRACTION33B217 - 222
34X-RAY DIFFRACTION34B223 - 227
35X-RAY DIFFRACTION35B228 - 231
36X-RAY DIFFRACTION36B232 - 236
37X-RAY DIFFRACTION37B237 - 246
38X-RAY DIFFRACTION38B247 - 253
39X-RAY DIFFRACTION39B254 - 261
40X-RAY DIFFRACTION40B262 - 267
41X-RAY DIFFRACTION41C139 - 145
42X-RAY DIFFRACTION42C146 - 152
43X-RAY DIFFRACTION43C153 - 156
44X-RAY DIFFRACTION44C157 - 161
45X-RAY DIFFRACTION45C162 - 166
46X-RAY DIFFRACTION46C167 - 176
47X-RAY DIFFRACTION47C177 - 184
48X-RAY DIFFRACTION48C185 - 192
49X-RAY DIFFRACTION49C193 - 198
50X-RAY DIFFRACTION50C199 - 204
51X-RAY DIFFRACTION51C205 - 209
52X-RAY DIFFRACTION52C210 - 216
53X-RAY DIFFRACTION53C217 - 222
54X-RAY DIFFRACTION54C223 - 228
55X-RAY DIFFRACTION55C229 - 234
56X-RAY DIFFRACTION56C235 - 241
57X-RAY DIFFRACTION57C242 - 247
58X-RAY DIFFRACTION58C248 - 253
59X-RAY DIFFRACTION59C254 - 261
60X-RAY DIFFRACTION60C262 - 267
61X-RAY DIFFRACTION61D139 - 145
62X-RAY DIFFRACTION62D146 - 153
63X-RAY DIFFRACTION63D154 - 159
64X-RAY DIFFRACTION64D160 - 164
65X-RAY DIFFRACTION65D165 - 176
66X-RAY DIFFRACTION66D177 - 184
67X-RAY DIFFRACTION67D185 - 190
68X-RAY DIFFRACTION68D191 - 195
69X-RAY DIFFRACTION69D196 - 202
70X-RAY DIFFRACTION70D203 - 210
71X-RAY DIFFRACTION71D211 - 216
72X-RAY DIFFRACTION72D217 - 222
73X-RAY DIFFRACTION73D223 - 227
74X-RAY DIFFRACTION74D228 - 231
75X-RAY DIFFRACTION75D232 - 237
76X-RAY DIFFRACTION76D238 - 242
77X-RAY DIFFRACTION77D243 - 248
78X-RAY DIFFRACTION78D249 - 254
79X-RAY DIFFRACTION79D255 - 261
80X-RAY DIFFRACTION80D262 - 267
81X-RAY DIFFRACTION81E602 - 607
82X-RAY DIFFRACTION82E608 - 612
83X-RAY DIFFRACTION83F602 - 607
84X-RAY DIFFRACTION84F608 - 612
85X-RAY DIFFRACTION85G602 - 607
86X-RAY DIFFRACTION86G608 - 612
87X-RAY DIFFRACTION87H602 - 607
88X-RAY DIFFRACTION88H608 - 612

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