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- PDB-4ghl: Structural Basis for Marburg virus VP35 mediate immune evasion me... -

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Basic information

Entry
Database: PDB / ID: 4ghl
TitleStructural Basis for Marburg virus VP35 mediate immune evasion mechanisms
Components
  • Polymerase cofactor VP35
  • short palindromic RNA AGACAGCAUAUGCUGUCU
KeywordsTRANSCRIPTION / viral protein/RNA / protein-RNA complex / VP35 / IFN inhibitor / RNA binding protein / Interferon antagonism / double stranded RNA / viral protein-RNA complex
Function / homology
Function and homology information


virion component / host cell cytoplasm
Similarity search - Function
Filoviridae VP35, C-terminal inhibitory domain, beta-sheet subdomain / Filoviridae VP35, C-terminal inhibitory domain, helical subdomain / Filoviruses VP35 interferon inhibitory domain, beta-sheet subdomain / Filoviridae VP35 protein / Filoviruses VP35 interferon inhibitory domain / Filoviruses VP35 interferon inhibitory domain, helical subdomain / Filoviridae VP35 / Filoviruses VP35 interferon inhibitory domain profile. / Seminal Fluid Protein PDC-109 (Domain B) / Helicase, Ruva Protein; domain 3 ...Filoviridae VP35, C-terminal inhibitory domain, beta-sheet subdomain / Filoviridae VP35, C-terminal inhibitory domain, helical subdomain / Filoviruses VP35 interferon inhibitory domain, beta-sheet subdomain / Filoviridae VP35 protein / Filoviruses VP35 interferon inhibitory domain / Filoviruses VP35 interferon inhibitory domain, helical subdomain / Filoviridae VP35 / Filoviruses VP35 interferon inhibitory domain profile. / Seminal Fluid Protein PDC-109 (Domain B) / Helicase, Ruva Protein; domain 3 / Ribbon / Orthogonal Bundle / Mainly Beta / Mainly Alpha
Similarity search - Domain/homology
RNA / RNA (> 10) / Polymerase cofactor VP35
Similarity search - Component
Biological speciesLake Victoria marburgvirus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.02 Å
AuthorsRamanan, P. / Borek, D.M. / Otwinowski, Z. / Leung, D.W. / Amarasinghe, G.K.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2012
Title: Structural basis for Marburg virus VP35-mediated immune evasion mechanisms.
Authors: Ramanan, P. / Edwards, M.R. / Shabman, R.S. / Leung, D.W. / Endlich-Frazier, A.C. / Borek, D.M. / Otwinowski, Z. / Liu, G. / Huh, J. / Basler, C.F. / Amarasinghe, G.K.
History
DepositionAug 7, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 28, 2012Provider: repository / Type: Initial release
Revision 1.1Dec 26, 2012Group: Database references
Revision 1.2Sep 13, 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_ncs_dom_lim / 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_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.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_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.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_conn.ptnr2_label_seq_id / _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 / _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
E: short palindromic RNA AGACAGCAUAUGCUGUCU
F: short palindromic RNA AGACAGCAUAUGCUGUCU
A: Polymerase cofactor VP35
B: Polymerase cofactor VP35
C: Polymerase cofactor VP35
D: Polymerase cofactor VP35
hetero molecules


Theoretical massNumber of molelcules
Total (without water)70,68025
Polymers70,0226
Non-polymers65719
Water6,828379
1
C: Polymerase cofactor VP35
hetero molecules

B: Polymerase cofactor VP35
hetero molecules

A: Polymerase cofactor VP35
hetero molecules

E: short palindromic RNA AGACAGCAUAUGCUGUCU
F: short palindromic RNA AGACAGCAUAUGCUGUCU
D: Polymerase cofactor VP35
hetero molecules


Theoretical massNumber of molelcules
Total (without water)70,68025
Polymers70,0226
Non-polymers65719
Water1086
TypeNameSymmetry operationNumber
crystal symmetry operation2_455-x-1/2,-y,z+1/21
crystal symmetry operation3_544-x,y-1/2,-z-1/21
crystal symmetry operation4_455x-1/2,-y+1/2,-z1
identity operation1_555x,y,z1
Buried area10410 Å2
ΔGint-146 kcal/mol
Surface area28380 Å2
MethodPISA
Unit cell
Length a, b, c (Å)83.771, 93.384, 102.071
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11E
21F
12A
22B
13A
23C
14A
24D
15B
25C
16B
26D
17C
27D

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
11AAUUEA1 - 181 - 18
21AAUUFB1 - 181 - 18
12LEULEULYSLYSAC208 - 32812 - 132
22LEULEULYSLYSBD208 - 32812 - 132
13LEULEULYSLYSAC208 - 32812 - 132
23LEULEULYSLYSCE208 - 32812 - 132
14LEULEULYSLYSAC208 - 32812 - 132
24LEULEULYSLYSDF208 - 32812 - 132
15LEULEUILEILEBD208 - 32912 - 133
25LEULEUILEILECE208 - 32912 - 133
16LEULEUILEILEBD208 - 32912 - 133
26LEULEUILEILEDF208 - 32912 - 133
17LEULEUILEILECE208 - 32912 - 133
27LEULEUILEILEDF208 - 32912 - 133

NCS ensembles :
ID
1
2
3
4
5
6
7

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Components

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RNA chain / Protein , 2 types, 6 molecules EFABCD

#1: RNA chain short palindromic RNA AGACAGCAUAUGCUGUCU


Mass: 5733.451 Da / Num. of mol.: 2 / Source method: obtained synthetically / Details: IDT DNA
#2: Protein
Polymerase cofactor VP35


Mass: 14638.870 Da / Num. of mol.: 4 / Fragment: UNP residues 200-329 / Mutation: L277A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lake Victoria marburgvirus / Strain: Popp-67 / Gene: Polymerase cofactor VP35, VP35 / Plasmid: pET15 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q03039

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Non-polymers , 4 types, 398 molecules

#3: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: Mg
#4: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C2H6O2
#5: Chemical
ChemComp-CL / CHLORIDE ION / Chloride


Mass: 35.453 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Cl
#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 379 / 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: 2.85 Å3/Da / Density % sol: 56.85 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6
Details: 0.1M sodium citrate (pH 5.5), 0.1M sodium citrate (pH 6.0), 0.25% glycerol, 14% PEG 6000 and 0.6M ammonium sulfate., VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.9793376 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Aug 3, 2011
RadiationMonochromator: Rosenbaum-Rock high-resolution double-crystal monochromator. LN2 cooled first crystal, sagittal focusing 2nd crystal
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9793376 Å / Relative weight: 1
ReflectionResolution: 2.01→50 Å / % possible obs: 100 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Rmerge(I) obs: 0.094 / Net I/σ(I): 22.9
Reflection shellResolution: 2.01→2.04 Å / Redundancy: 7.2 % / Rmerge(I) obs: 0.928 / Mean I/σ(I) obs: 2.6 / Num. unique all: 2577 / Rsym value: 0.928 / % possible all: 100

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Processing

Software
NameVersionClassification
HKL-3000data collection
MOLREPphasing
REFMAC5.6.0117refinement
HKL-3000data reduction
SCALEPACKdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 3FKE
Resolution: 2.02→37.87 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.919 / SU B: 7.482 / SU ML: 0.108 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.165 / ESU R Free: 0.161 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
RfactorNum. reflection% reflectionSelection details
Rfree0.23994 2577 5 %RANDOM
Rwork0.18731 ---
all0.18999 48487 --
obs0.18999 48487 95.57 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 30.18 Å2
Baniso -1Baniso -2Baniso -3
1--0.01 Å20 Å20 Å2
2--0 Å20 Å2
3---0.01 Å2
Refinement stepCycle: LAST / Resolution: 2.02→37.87 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3856 758 31 379 5024
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0110.0184832
X-RAY DIFFRACTIONr_angle_refined_deg1.4961.8766724
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.4125499
X-RAY DIFFRACTIONr_dihedral_angle_2_deg37.85623.544158
X-RAY DIFFRACTIONr_dihedral_angle_3_deg13.86615669
X-RAY DIFFRACTIONr_dihedral_angle_4_deg11.6171524
X-RAY DIFFRACTIONr_chiral_restr0.0930.2762
X-RAY DIFFRACTIONr_gen_planes_refined0.0080.0213361
Refine LS restraints NCS

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

Ens-IDDom-IDAuth asym-IDNumberRms dev position (Å)
11E1100.1
12F1100.1
21A1360.03
22B1360.03
31A1380.05
32C1380.05
41A1370.02
42D1370.02
51B1390.08
52C1390.08
61B1390.02
62D1390.02
71C1390.08
72D1390.08
LS refinement shellResolution: 2.017→2.069 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.275 114 -
Rwork0.208 1772 -
obs--48.58 %
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)
110.2-2.5247-0.45098.3677-4.672412.6887-0.10230.2948-0.2946-0.5590.2390.65980.3686-0.81-0.13680.1617-0.02970.01720.1478-0.00470.1778-14.14472.785-7.57
21.4708-3.38521.017912.4256-0.20981.6911-0.2427-0.04430.13190.50930.0263-0.0748-0.2026-0.09030.21640.2886-0.00480.07490.2085-0.08610.3246-10.80459.567-5.39
313.47777.0834-5.461310.1654-3.69342.6058-0.06420.29640.0621-0.12730.01270.50450.0135-0.32470.05160.11150.0198-0.00090.2242-0.06960.1529-4.78152.823-10.519
40.7992-0.35311.38931.7261-1.12662.5832-0.03570.00170.0072-0.06890.04680.0622-0.0405-0.009-0.01110.08910.0123-0.00160.09170.00890.1055.25453.759-11.158
52.7587-1.8334-2.17748.6146-3.972111.5071-0.00270.24570.0675-0.371-0.02880.23230.0292-0.24180.03150.07410.0036-0.00470.06730.00610.10458.14345.721-11.949
65.04140.0299-3.68011.8312-2.35.52630.03090.2234-0.0892-0.02170.01030.10340.003-0.164-0.04110.10670.0223-0.01780.07340.00740.12431.91345.237-8.233
710.0532-5.0162-3.55816.8178-0.91552.9387-0.01640.2888-0.2574-0.11290.12320.45670.0911-0.2654-0.10670.1109-0.00470.02150.1146-0.00790.1503-7.37646.483-2.737
86.11043.821.8614.9006-0.43261.6494-0.1611-0.32360.2037-0.05450.02590.1753-0.0555-0.19650.13520.08240.02710.0610.12670.01950.2044-6.45453.2950.947
98.46423.5127-0.68863.8611-0.33385.7528-0.11680.05520.46150.3890.07980.1611-0.2416-0.15150.0370.14080.04630.01870.0579-0.0030.10782.08658.970.686
102.12851.6305-1.44356.1655-0.8830.99040.1851-0.4581-0.05890.3066-0.2174-0.0794-0.10930.31380.03230.17440.019-0.03790.2053-0.02990.11559.69659.1-0.296
112.81940.9037-1.40461.3829-1.92873.11810.0089-0.15970.04630.2238-0.0470.0337-0.1459-0.0010.03810.1340.0070.01030.0873-0.00880.10456.88349.9731.888
123.90194.74283.967522.1573-8.500615.94380.0847-0.38740.11220.7106-0.05820.2098-0.2841-0.2401-0.02650.14520.11110.02740.2924-0.02510.1014-2.11447.1356.028
130.43480.41131.11254.19757.009312.2061-0.074-0.09260.04440.05980.1032-0.0386-0.0210.1219-0.02920.1166-0.01950.00210.1296-0.0010.1183-1.90136.046-1.662
143.62332.71090.82245.0209-0.75780.8168-0.2140.2699-0.1524-0.5610.226-0.1620.13520.0495-0.01190.1581-0.04270.04190.10180.00160.09631.43828.8-14.995
1519.52160.18820.068416.02657.293610.6579-0.3780.69780.1604-0.74890.3629-0.2643-0.01560.30410.0150.11780.0052-0.00620.11750.00180.05347.89535.287-17.506
163.67430.28611.28012.3634-2.13072.5753-0.10970.2218-0.1221-0.07720.0403-0.1070.02050.05890.06950.10190.0128-0.00090.1057-0.00640.103312.08236.703-11.729
170.88340.24190.12022.46820.55481.46650.0139-0.07760.04840.131-0.03050.02860.0435-0.03280.01650.08350.0011-0.01370.08190.01690.11035.60331.982.562
180.57080.3918-0.09852.2870.70770.3446-0.0754-0.00740.04460.07930.08330.06130.0127-0.006-0.00790.12850.04550.00270.10650.01610.11874.3936.304-2.196
195.4925.42384.358711.14678.549520.51650.07640.3186-0.5259-0.00280.1564-0.2420.59330.342-0.23290.0796-0.00060.01520.106200.11531.92723.482-11.567
202.80820.09051.88754.69330.73182.2691-0.05190.0089-0.0052-0.02440.203-0.1678-0.0404-0.0189-0.15120.07460.01160.01510.0893-0.00110.09768.74835.641-4.773
2115.44815.7892-0.768710.8576-6.36148.1857-0.0283-0.38970.36930.41110.07010.8492-0.5402-0.7101-0.04180.12640.0643-0.05240.3875-0.12280.2323-12.83646.81-38.902
227.3455-1.8185-3.33989.3549-1.00971.89770.13530.3451-0.1770.0853-0.17880.2554-0.0876-0.13750.04350.14520.0206-0.03750.1106-0.04380.1393-4.99949.038-42.248
232.9889-3.181-0.87586.07480.47760.33660.12750.10170.006-0.1986-0.13780.021-0.0243-0.01960.01020.1198-0.0195-0.00460.07550.00940.10012.75347.275-44.574
240.7509-1.02540.9634.8977-2.23841.47910.0650.08610.02030.1656-0.145-0.22790.01640.11470.07990.1176-0.02340.00090.08260.00590.10661.47942.673-40.007
256.1771.8963-2.41833.7871-1.54731.14960.007-0.0127-0.0958-0.15010.00740.20520.03690.0052-0.01440.1168-0.0241-0.0070.0936-0.00770.1115-6.2840.416-35.834
266.67723.2728-3.84216.0090.93535.5180.0159-0.03870.0329-0.2102-0.09660.4475-0.1323-0.48090.08080.11710.00490.01120.1807-0.00660.1558-13.00743.222-30.767
275.08382.29545.77626.52540.85529.10860.0604-0.08880.2538-0.0522-0.05830.344-0.1998-0.123-0.0020.1425-0.0150.02930.0688-0.00670.1136-7.32851.424-30.521
289.52062.6458-0.90685.38591.48530.73640.22610.06570.09220.2288-0.22420.01940.037-0.1025-0.00180.22050.0298-0.01240.1267-0.04130.0884-0.98955.521-31.829
291.2835-0.0199-0.31114.968512.181410.031-0.0304-0.30920.01180.45980.3441-0.41880.34770.4249-0.31380.1277-0.0153-0.00670.19710.05280.11785.10556.381-32.222
301.76211.1077-1.52111.9784-4.05658.8353-0.0655-0.20440.11410.0816-0.1969-0.0699-0.19590.36570.26240.1482-0.00760.00390.1026-0.00230.1114.55648.258-32.376
315.70293.3598-4.71023.4764-0.82776.43690.2091-0.2989-0.06210.2283-0.3720.0567-0.06970.01010.16290.1656-0.0511-0.00020.0725-0.01750.0909-1.18244.572-25.507
321.6604-1.1113-0.66314.17450.81842.7910.0357-0.15920.07870.2754-0.04770.1054-0.0370.02750.01190.1296-0.02250.00520.0662-0.01050.0957-3.49637.452-26.477
330.2828-0.523-0.2043.88464.346814.0667-0.06270.1508-0.0601-0.1443-0.09260.24460.1765-0.19780.15530.1109-0.03620.0070.1507-0.00640.1183-3.83129.194-38.568
347.54552.346-1.42848.8588-2.51155.1818-0.29290.436-0.0867-0.37130.0954-0.18230.1821-0.08910.19750.1139-0.01670.02260.0976-0.02590.0932.76226.348-48.766
352.58142.14010.98062.5843-0.12852.8277-0.12440.1528-0.1489-0.38310.12750.033-0.0150.1822-0.00310.2251-0.0215-0.03440.07370.00450.15118.03335.08-47.425
360.3161-0.6881-0.80326.057-1.84874.9172-0.0076-0.04070.05250.0065-0.1227-0.4737-0.0260.26740.13030.1029-0.0193-0.01660.09940.01550.12769.09429.67-36.341
372.3751-2.3744-0.5359.50230.16063.7924-0.0717-0.2297-0.09850.50970.0697-0.2140.16180.20470.00190.1042-0.0203-0.00430.11950.00610.09592.86632.026-27.127
381.72231.03630.84284.88970.46265.6877-0.02270.0731-0.04450.12480.1524-0.0813-0.19920.2809-0.12960.1003-0.00380.01780.06410.00150.08493.95633.956-32.664
393.64943.66291.15458.93673.50241.4409-0.23550.2288-0.4281-0.5970.3206-0.4685-0.19570.0722-0.08510.1724-0.13390.10110.1657-0.070.21020.57622.661-44.011
403.53190.7134-3.08011.3559-1.39023.1804-0.31210.1886-0.04440.13560.1881-0.11770.1488-0.23180.1240.1092-0.013-0.00450.1764-0.01390.15336.5329.978-37.93
414.3174.1066-2.805919.1548-0.60626.3117-0.02730.16840.5725-0.14940.15050.5914-0.5597-0.3957-0.12310.14070.027-0.00960.2479-0.05950.1675-31.42329.587-33.435
424.4668-0.52032.0352.003-4.01558.36820.0965-0.1473-0.19230.07220.19030.11-0.1063-0.5408-0.28680.0314-0.04140.0130.4039-0.05430.0805-31.97118.315-30.671
437.9723-0.7095-2.94344.30891.79512.2197-0.053-0.34310.14510.3338-0.04340.24680.0904-0.14980.09640.1113-0.03110.00950.1381-0.0130.1334-23.96615.909-29.997
443.03980.4059-0.67853.9215-4.30866.1828-0.0086-0.17580.10710.2107-0.1317-0.1036-0.0782-0.29830.14040.1064-0.0339-0.01980.1899-0.05790.0927-23.31621.95-34.201
456.8063-4.52320.459616.0689-1.36417.7374-0.165-0.39130.93310.33870.1016-0.1696-0.74220.0280.06340.13430.0136-0.03350.1908-0.03520.1838-24.82531.035-39.88
4610.47059.75-2.768310.5312-0.92922.63610.14930.0826-0.0424-0.1187-0.1191-0.157-0.3431-0.2761-0.03020.14220.0758-0.06380.26760.04410.3875-31.78729.671-43.324
4712.32923.00976.45729.8936-2.02337.9892-0.12090.05390.3891-0.01420.01210.3822-0.3612-0.64140.10890.12170.0086-0.01850.222-0.03740.1314-37.49922.224-42.208
484.76381.74310.510313.6597-4.669613.960.12250.1299-0.5072-0.4559-0.01630.18180.4597-0.7222-0.10630.1516-0.0457-0.02030.2498-0.07590.1821-38.56814.559-42.934
491.84291.05351.67432.8196-1.4574.21790.0428-0.11860.18220.15560.00480.324-0.0363-0.2834-0.04760.1043-0.08660.05530.1712-0.08560.1511-30.74114.507-39.134
504.58531.46770.71116.1891-2.23314.37610.0698-0.1198-0.2549-0.2656-0.18250.0008-0.06960.03160.11280.0904-0.0243-0.00050.1161-0.05730.1028-27.67917.102-46.116
518.3449-0.45021.58618.64024.38592.6346-0.11840.4670.508-0.1978-0.12170.2042-0.15790.01050.24010.15210.0165-0.03890.1832-0.00640.1116-26.88324.833-48.332
521.4933-1.57742.77994.99251.192113.1604-0.02380.1350.096-0.5326-0.2730.2698-0.2031-0.30360.29680.2446-0.0402-0.05930.15450.02730.1877-17.28824.98-45.504
531.9274-1.151-1.03594.1256-0.76891.1207-0.045-0.0728-0.02680.17190.11380.2633-0.03170.0145-0.06880.109-0.0399-0.00680.07090.00360.1209-8.94825.301-29.239
548.77691.0024-3.62333.35530.13366.5037-0.0432-0.3567-0.06010.25020.0130.05070.0815-0.05730.03010.1103-0.0195-0.00130.0718-0.00220.0978-10.48318.14-26.326
559.5061-0.1345-3.99347.65127.43410.24080.0347-0.5366-0.3090.58550.0087-0.07080.70790.1404-0.04330.0997-0.0326-0.01680.09040.02260.0958-15.28212.078-28.246
560.24040.23460.70390.23520.67842.17490.01280.0148-0.03150.0054-0.0048-0.0423-0.04530.0807-0.00790.1511-0.01530.00690.1131-0.00290.1338-8.57315.411-40.67
5712.65291.4682-2.68094.9488-0.60612.4554-0.08920.4794-0.0833-0.32720.06690.09610.0301-0.1730.02220.1502-0.0004-0.01450.127-0.00210.1025-15.86819.415-47.246
580.67321.07960.04831.74380.06730.0392-0.0229-0.03980.0623-0.0548-0.03740.0734-0.0439-0.04210.06030.1410.0103-0.02960.1281-0.0360.1366-13.29820.13-37.741
5912.73296.883311.9918.288110.609322.63770.1338-0.0642-0.33460.62820.0506-0.58160.72850.6919-0.18440.13020.0012-0.01410.06920.02040.1222-1.88522.91-30.755
602.56011.50374.46073.44362.71177.7795-0.00610.02-0.0296-0.26670.02970.0106-0.02950.0244-0.02360.1281-0.0194-0.03280.0945-0.06440.1996-13.64615.353-37.487
617.74150.70680.496713.7849-2.18613.2149-0.0376-0.37030.7660.1497-0.11790.1989-0.7551-0.41660.15560.39370.2189-0.06960.2272-0.09760.2902-22.62333.069-0.989
629.21933.05290.98427.4019-3.33682.2096-0.18310.13920.4440.12010.0155-0.0833-0.10230.02540.16760.14110.0179-0.01680.10140.01850.1356-23.84724.2781.19
639.8293-4.70722.73973.1369-1.81071.405-0.1076-0.32140.15480.1660.0514-0.0218-0.08880.00380.05630.1176-0.01460.00460.08740.0060.0987-21.77816.333.902
644.8568-1.1545-0.66340.4109-0.49423.2971-0.06840.10250.00020.0171-0.0133-0.01120.03960.02590.08170.08170.00920.00360.10450.0180.1015-16.38517.331-0.905
656.50262.3129-0.80176.81860.16370.4193-0.05410.1520.62140.00230.13030.21430.13660.1878-0.07610.10270.0471-0.0270.18420.03820.1491-15.29326.311-5.431
6618.41393.0536-2.78027.7462-5.68244.24690.0008-0.34990.6805-0.07910.06660.0396-0.1009-0.0039-0.06750.4123-0.08660.01560.1420.04850.2237-18.95432.912-10.21
673.07482.9927-0.317610.2046-3.5844.8955-0.10770.17670.49460.0937-0.02940.179-0.3945-0.19340.1370.09690.0072-0.030.12890.04440.2092-26.92525.737-9.302
689.2151.8361-4.456314.09651.02782.42560.02380.41360.2245-0.36580.05660.3381-0.0747-0.1984-0.08040.172-0.0071-0.03050.11770.02130.1108-31.77819.546-9.488
6916.38120.4948.26261.65791.62956.00040.27220.4871-0.1334-0.3308-0.18920.16580.146-0.0689-0.0830.2514-0.0325-0.06720.12130.03620.1583-28.30213.255-7.685
708.87990.7996-3.04366.1278-1.70947.1672-0.07520.52890.2257-0.1340.1240.25740.0164-0.0445-0.04880.0625-0.0036-0.00690.10130.01520.0757-22.00316.821-10.896
711.590.87350.02369.03820.46312.7228-0.14950.39190.2113-0.21830.1523-0.1174-0.0322-0.0383-0.00290.056-0.0287-0.01520.13650.05560.0879-18.83822.229-15.805
723.52611.80833.57683.14260.43724.5263-0.06220.04710.1549-0.296-0.08680.08260.1470.10270.1490.1574-0.02760.01910.09650.00860.1186-8.17923.489-11.885
732.8402-1.4302-0.58044.3786-0.3261.5417-0.0733-0.34180.03080.06120.0391-0.0208-0.0063-0.00850.03410.0852-0.0094-0.01090.12320.02570.0799-0.1822.5323.783
7413.09722.5556-6.85464.0799-1.437610.04370.0229-0.3923-0.04630.2534-0.0239-0.1740.12830.28570.0010.1203-0.0122-0.01370.08810.00360.1075-2.85715.7555.477
7512.1171-4.1373-4.216814.86178.37615.12030.0109-0.8736-0.36250.87760.0427-0.21830.53590.2159-0.05350.15680.0209-0.01650.16460.02660.0933-8.55410.3484.857
761.4050.3749-0.18380.3628-0.97773.3666-0.0136-0.1704-0.2594-0.0053-0.0515-0.0763-0.04030.09730.06510.0866-0.0080.00820.09440.0220.1321-3.39411.841-6.553
776.2477-1.3522-0.42253.8655-1.83751.76980.17810.19640.0084-0.38510.00930.18770.09790.0463-0.18740.1128-0.0286-0.02350.09660.00940.092-7.83217.302-14.833
782.4760.09660.07930.1070.68374.50840.126-0.02780.0720.0233-0.023-0.01520.1267-0.1082-0.10290.1003-0.00130.00530.07560.03040.1132-6.47217.942-5.699
7913.90415.51318.0542.57051.271615.33080.0949-0.0907-0.39870.062-0.0924-0.27050.37490.5085-0.00250.25490.074-0.10850.1464-0.04730.2185.94819.9471.141
807.46672.07492.0622.98270.58581.06780.06790.2564-0.09450.03360.0652-0.01050.0049-0.0708-0.13310.09250.00890.01160.1030.02310.097-5.57113.981-5.176
813.5057-1.5365-3.4651.99242.31633.91070.40240.3350.25410.07460.1083-0.5439-0.2308-0.1938-0.51070.1686-0.0158-0.06140.2492-0.0250.18-13.6942.63521.006
821.57890.16220.85572.6126-1.22371.13910.1069-0.0301-0.00870.1153-0.2098-0.2625-0.02090.10220.10290.0997-0.04440.00720.09140.01220.1082-19.263-5.4458.561
832.3314-0.0106-0.88681.2646-0.75951.51290.05770.1698-0.0151-0.0419-0.0437-0.0261-0.0055-0.0226-0.0140.07910.00260.0060.07580.00060.0785-20.2545.075-6.27
844.00963.04760.62222.88011.57992.77070.09830.1299-0.0748-0.08930.0436-0.09380.0853-0.2088-0.14180.3867-0.0216-0.05660.13650.0190.0719-15.707-4.89-19.287
859.4338-3.53367.93055.2668-5.34418.09710.1578-0.9678-0.3549-0.15760.29540.37870.1814-0.7735-0.45310.153-0.01230.01010.25380.03880.0696-24.038-5.178-15.862
862.1648-1.7742-1.97511.47681.59651.834-0.03020.00330.01660.02180.0439-0.03310.0683-0.0409-0.01370.14510.0293-0.03770.1094-0.0260.1257-13.56-1.021-5.244
871.2520.5439-0.79724.37870.16091.06710.023-0.03990.0463-0.04710.0218-0.00860.00250.0402-0.04480.0882-0.00880.0030.10430.00260.0703-21.0594.9166.971
880.3372-0.3031-0.33940.88540.09920.41390.0669-0.14540.10150.18450.0252-0.1238-0.15710.1817-0.09210.1673-0.1446-0.02810.26470.00510.088-17.531-5.08221.406
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A198 - 203
2X-RAY DIFFRACTION2A204 - 209
3X-RAY DIFFRACTION3A210 - 216
4X-RAY DIFFRACTION4A217 - 223
5X-RAY DIFFRACTION5A224 - 228
6X-RAY DIFFRACTION6A229 - 234
7X-RAY DIFFRACTION7A235 - 241
8X-RAY DIFFRACTION8A242 - 249
9X-RAY DIFFRACTION9A250 - 255
10X-RAY DIFFRACTION10A256 - 262
11X-RAY DIFFRACTION11A263 - 272
12X-RAY DIFFRACTION12A273 - 277
13X-RAY DIFFRACTION13A278 - 284
14X-RAY DIFFRACTION14A285 - 289
15X-RAY DIFFRACTION15A290 - 294
16X-RAY DIFFRACTION16A295 - 300
17X-RAY DIFFRACTION17A301 - 309
18X-RAY DIFFRACTION18A310 - 318
19X-RAY DIFFRACTION19A319 - 324
20X-RAY DIFFRACTION20A325 - 329
21X-RAY DIFFRACTION21B208 - 213
22X-RAY DIFFRACTION22B214 - 218
23X-RAY DIFFRACTION23B219 - 227
24X-RAY DIFFRACTION24B228 - 232
25X-RAY DIFFRACTION25B233 - 238
26X-RAY DIFFRACTION26B239 - 245
27X-RAY DIFFRACTION27B246 - 251
28X-RAY DIFFRACTION28B252 - 256
29X-RAY DIFFRACTION29B257 - 262
30X-RAY DIFFRACTION30B263 - 268
31X-RAY DIFFRACTION31B269 - 274
32X-RAY DIFFRACTION32B275 - 280
33X-RAY DIFFRACTION33B281 - 285
34X-RAY DIFFRACTION34B286 - 291
35X-RAY DIFFRACTION35B292 - 298
36X-RAY DIFFRACTION36B299 - 304
37X-RAY DIFFRACTION37B305 - 310
38X-RAY DIFFRACTION38B311 - 316
39X-RAY DIFFRACTION39B317 - 322
40X-RAY DIFFRACTION40B323 - 329
41X-RAY DIFFRACTION41C208 - 217
42X-RAY DIFFRACTION42C218 - 222
43X-RAY DIFFRACTION43C223 - 228
44X-RAY DIFFRACTION44C229 - 234
45X-RAY DIFFRACTION45C235 - 241
46X-RAY DIFFRACTION46C242 - 249
47X-RAY DIFFRACTION47C250 - 254
48X-RAY DIFFRACTION48C255 - 260
49X-RAY DIFFRACTION49C261 - 266
50X-RAY DIFFRACTION50C267 - 271
51X-RAY DIFFRACTION51C272 - 276
52X-RAY DIFFRACTION52C277 - 282
53X-RAY DIFFRACTION53C283 - 288
54X-RAY DIFFRACTION54C289 - 293
55X-RAY DIFFRACTION55C294 - 299
56X-RAY DIFFRACTION56C300 - 305
57X-RAY DIFFRACTION57C306 - 311
58X-RAY DIFFRACTION58C312 - 318
59X-RAY DIFFRACTION59C319 - 324
60X-RAY DIFFRACTION60C325 - 329
61X-RAY DIFFRACTION61D208 - 212
62X-RAY DIFFRACTION62D213 - 219
63X-RAY DIFFRACTION63D220 - 225
64X-RAY DIFFRACTION64D226 - 232
65X-RAY DIFFRACTION65D233 - 238
66X-RAY DIFFRACTION66D239 - 245
67X-RAY DIFFRACTION67D246 - 252
68X-RAY DIFFRACTION68D253 - 257
69X-RAY DIFFRACTION69D258 - 263
70X-RAY DIFFRACTION70D264 - 270
71X-RAY DIFFRACTION71D271 - 276
72X-RAY DIFFRACTION72D277 - 283
73X-RAY DIFFRACTION73D284 - 288
74X-RAY DIFFRACTION74D289 - 293
75X-RAY DIFFRACTION75D294 - 298
76X-RAY DIFFRACTION76D299 - 304
77X-RAY DIFFRACTION77D305 - 312
78X-RAY DIFFRACTION78D313 - 317
79X-RAY DIFFRACTION79D318 - 323
80X-RAY DIFFRACTION80D324 - 329
81X-RAY DIFFRACTION81E1 - 4
82X-RAY DIFFRACTION82E5 - 9
83X-RAY DIFFRACTION83E10 - 14
84X-RAY DIFFRACTION84E15 - 18
85X-RAY DIFFRACTION85F1 - 4
86X-RAY DIFFRACTION86F5 - 8
87X-RAY DIFFRACTION87F9 - 12
88X-RAY DIFFRACTION88F13 - 18

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