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- PDB-7kfw: Structural basis for a germline-biased antibody response to SARS-... -

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Basic information

Entry
Database: PDB / ID: 7kfw
TitleStructural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-B3 Fab)
Components
  • Spike glycoprotein
  • heavy chain of antibody C1A-B3 Fab
  • light chain of antibody C1A-B3 Fab
KeywordsIMMUNE SYSTEM/Viral protein / COVID-19 / SARS-CoV-2 / neutralizing antibody / affinity maturation / IMMUNE SYSTEM / IMMUNE SYSTEM-Viral protein complex
Function / homology
Function and homology information


Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / suppression by virus of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / entry receptor-mediated virion attachment to host cell ...Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / suppression by virus of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / entry receptor-mediated virion attachment to host cell / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / receptor-mediated endocytosis of virus by host cell / Attachment and Entry / membrane fusion / positive regulation of viral entry into host cell / receptor-mediated virion attachment to host cell / receptor ligand activity / symbiont-mediated suppression of host innate immune response / host cell surface receptor binding / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / SARS-CoV-2 activates/modulates innate and adaptive immune responses / host cell plasma membrane / virion membrane / identical protein binding / membrane / plasma membrane
Similarity search - Function
Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Spike glycoprotein, N-terminal domain superfamily / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike glycoprotein, betacoronavirus / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Betacoronavirus spike glycoprotein S1, receptor binding / Spike glycoprotein S1, N-terminal domain, betacoronavirus-like ...Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Spike glycoprotein, N-terminal domain superfamily / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike glycoprotein, betacoronavirus / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Betacoronavirus spike glycoprotein S1, receptor binding / Spike glycoprotein S1, N-terminal domain, betacoronavirus-like / Betacoronavirus-like spike glycoprotein S1, N-terminal / Spike glycoprotein S2, coronavirus, heptad repeat 1 / Spike glycoprotein S2, coronavirus, heptad repeat 2 / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 2 (HR2) region profile. / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 1 (HR1) region profile. / Spike glycoprotein S2 superfamily, coronavirus / Spike glycoprotein S2, coronavirus / Coronavirus spike glycoprotein S2 / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal
Similarity search - Domain/homology
Biological speciesSevere acute respiratory syndrome coronavirus 2
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.792 Å
AuthorsPan, J. / Abraham, J. / Clark, L. / Clark, S.
Funding support United States, 1items
OrganizationGrant numberCountry
Other privateno grant number United States
CitationJournal: Biorxiv / Year: 2020
Title: Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2.
Authors: Clark, S.A. / Clark, L.E. / Pan, J. / Coscia, A. / McKay, L.G.A. / Shankar, S. / Johnson, R.I. / Griffiths, A. / Abraham, J.
History
DepositionOct 15, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 2, 2020Provider: repository / Type: Initial release
Revision 1.1Jan 20, 2021Group: Database references / Source and taxonomy / Structure summary
Category: entity / entity_name_com ...entity / entity_name_com / entity_src_gen / struct / struct_ref / struct_ref_seq / struct_ref_seq_dif
Item: _entity.pdbx_description / _entity_src_gen.gene_src_common_name ..._entity.pdbx_description / _entity_src_gen.gene_src_common_name / _entity_src_gen.pdbx_gene_src_gene / _struct.pdbx_descriptor / _struct_ref.db_code / _struct_ref.pdbx_db_accession / _struct_ref_seq.pdbx_db_accession / _struct_ref_seq_dif.pdbx_seq_db_accession_code
Revision 1.2Oct 18, 2023Group: Advisory / Data collection ...Advisory / Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / database_2 / pdbx_initial_refinement_model / pdbx_unobs_or_zero_occ_atoms
Item: _citation.journal_id_ISSN / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Spike glycoprotein
B: Spike glycoprotein
C: heavy chain of antibody C1A-B3 Fab
D: light chain of antibody C1A-B3 Fab
E: Spike glycoprotein
F: heavy chain of antibody C1A-B3 Fab
G: light chain of antibody C1A-B3 Fab
H: heavy chain of antibody C1A-B3 Fab
L: light chain of antibody C1A-B3 Fab
hetero molecules


Theoretical massNumber of molelcules
Total (without water)218,20012
Polymers217,5369
Non-polymers6643
Water7,206400
1
A: Spike glycoprotein
H: heavy chain of antibody C1A-B3 Fab
L: light chain of antibody C1A-B3 Fab
hetero molecules


Theoretical massNumber of molelcules
Total (without water)72,7334
Polymers72,5123
Non-polymers2211
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Spike glycoprotein
C: heavy chain of antibody C1A-B3 Fab
D: light chain of antibody C1A-B3 Fab
hetero molecules


Theoretical massNumber of molelcules
Total (without water)72,7334
Polymers72,5123
Non-polymers2211
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
E: Spike glycoprotein
F: heavy chain of antibody C1A-B3 Fab
G: light chain of antibody C1A-B3 Fab
hetero molecules


Theoretical massNumber of molelcules
Total (without water)72,7334
Polymers72,5123
Non-polymers2211
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)84.174, 112.843, 267.846
Angle α, β, γ (deg.)90, 90, 90
Int Tables number19
Space group name H-MP212121

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Components

#1: Protein Spike glycoprotein / S glycoprotein / E2 / Peplomer protein


Mass: 25467.650 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Gene: S, 2 / Plasmid: pHLSec / Cell line (production host): HEK-293T / Production host: Homo sapiens (human) / References: UniProt: P0DTC2
#2: Antibody heavy chain of antibody C1A-B3 Fab


Mass: 23824.607 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Plasmid: pVRC-8400 / Cell line (production host): HEK-293T / Production host: Homo sapiens (human)
#3: Antibody light chain of antibody C1A-B3 Fab


Mass: 23219.746 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Plasmid: pVRC-8400 / Cell line (production host): HEK-293T / Production host: Homo sapiens (human)
#4: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 400 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN

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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: 3.1 Å3/Da / Density % sol: 60.27 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5
Details: protein sample: 13 mg/mL in 150mM NaCl, 25 mM Tris-HCl, pH 7.5 mother liquor composition (equal volume): 0.2 M Ammonium phosphate dibasic, 20% w/v PEG 3350

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Data collection

DiffractionMean temperature: 80 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.9792 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jul 25, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9792 Å / Relative weight: 1
ReflectionResolution: 2.77→200 Å / Num. obs: 63645 / % possible obs: 98.1 % / Redundancy: 6.94 % / CC1/2: 0.983 / Rrim(I) all: 0.382 / Χ2: 0.89 / Net I/σ(I): 5.41
Reflection shellResolution: 2.79→2.94 Å / Redundancy: 6.51 % / Mean I/σ(I) obs: 0.68 / Num. unique obs: 17922 / CC1/2: 0.233 / % possible all: 88.6

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Processing

Software
NameVersionClassification
BUSTER2.10.3refinement
PHENIX1.18.2-3874data processing
O15.1.0model building
XDS20200131data reduction
XDS20200131data scaling
PHASER2.8.3phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7KFV

7kfv


Resolution: 2.792→133.92 Å / Cor.coef. Fo:Fc: 0.938 / Cor.coef. Fo:Fc free: 0.913 / SU R Cruickshank DPI: 1.156 / Cross valid method: THROUGHOUT / SU R Blow DPI: 1.319 / SU Rfree Blow DPI: 0.309 / SU Rfree Cruickshank DPI: 0.312
RfactorNum. reflection% reflectionSelection details
Rfree0.2293 3092 -RANDOM
Rwork0.1893 ---
obs0.1913 63645 99 %-
Displacement parametersBiso mean: 86.67 Å2
Baniso -1Baniso -2Baniso -3
1--11.333 Å20 Å20 Å2
2--11.0801 Å20 Å2
3---0.2529 Å2
Refine analyzeLuzzati coordinate error obs: 0.36 Å
Refinement stepCycle: LAST / Resolution: 2.792→133.92 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms14459 0 42 400 14901
Refine LS restraints
Refine-IDTypeDev idealNumberRestraint functionWeight
X-RAY DIFFRACTIONt_bond_d0.00815131HARMONIC2
X-RAY DIFFRACTIONt_angle_deg0.9820650HARMONIC2
X-RAY DIFFRACTIONt_dihedral_angle_d5032SINUSOIDAL2
X-RAY DIFFRACTIONt_gen_planes2587HARMONIC5
X-RAY DIFFRACTIONt_it15126HARMONIC10
X-RAY DIFFRACTIONt_chiral_improper_torsion1979SEMIHARMONIC5
X-RAY DIFFRACTIONt_sum_occupancies36HARMONIC1
X-RAY DIFFRACTIONt_ideal_dist_contact11024SEMIHARMONIC4
X-RAY DIFFRACTIONt_omega_torsion2.94
X-RAY DIFFRACTIONt_other_torsion18.18
LS refinement shellResolution: 2.8→2.82 Å
RfactorNum. reflection% reflection
Rfree0.31 61 -
Rwork0.2521 --
obs--67.86 %
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)
10.22511.9928-1.78490.194-1.631200.04110.08220.06950.0822-0.1978-0.1390.0695-0.1390.15670.05320.14850.1520.04060.139-0.0111-25.2246-1.500225.9361
20-1.01752.91040.67050.04445.86980.04-0.34740.0159-0.34740.0212-0.250.0159-0.25-0.06130.304-0.01110.1156-0.1612-0.0025-0.0839-32.51733.189226.7566
30-0.1016-0.18032.57662.910400.1547-0.54420.5442-0.5442-0.3896-0.15420.5442-0.15420.23490.28550.12970.152-0.1533-0.081-0.0511-34.1946-12.522323.8222
40.64762.91042.910402.91042.73780.0675-0.06560.0919-0.0656-0.1096-0.36590.0919-0.36590.04210.304-0.07410.01860.07980.152-0.304-41.7694-5.95416.5579
50-2.41071.023602.45510-0.25720.4772-0.10810.47720.0035-0.0125-0.1081-0.01250.25370.01640.03860.0349-0.0160.11470.0683-34.7861-5.158635.7845
60.2569-0.26751.636400.08970.7281-0.0709-0.3058-0.0234-0.3058-0.071-0.044-0.0234-0.0440.14190.10310.04010.0514-0.01180.0743-0.0125-37.2474-6.011336.6618
70-0.6189-0.8361.12752.910400.1244-0.09030.2303-0.0903-0.1953-0.07740.2303-0.07740.07080.08310.09240.05970.01280.11890.033-28.1168-1.82247.9568
800.5871-0.621800.47871.20390.32690.0528-0.05750.0528-0.2173-0.1408-0.0575-0.1408-0.10950.0352-0.1198-0.04630.04150.08650.029-35.45726.903553.1642
90.5007-0.3591-0.57940-0.48480.00360.0043-0.2953-0.0671-0.2953-0.0662-0.2051-0.0671-0.20510.06190.17160.1520.0419-0.0435-0.0152-0.0249-33.1403-5.139130.566
100-1.25451.94430-2.91040.3969-0.08050.18-0.20980.180.46370.0026-0.20980.0026-0.38320.20780.00430.152-0.11210.1520.1025-108.02833.3736100.602
1100.4495-0.31630-2.910400.0560.54420.17140.54420.43230.4230.17140.423-0.48830.10550.1520.0285-0.10540.0881-0.0188-102.24124.1112111.391
1202.9104-1.86320-1.04532.6341-0.148-0.02650.0328-0.02650.39620.12680.03280.1268-0.24810.10450.1138-0.1227-0.1157-0.05060.0555-99.525826.185895.2318
1300.06850.26690.3711-0.229700.02870.18640.10270.18640.19080.02180.10270.0218-0.21960.06120.0353-0.0681-0.0332-0.01340.0785-99.283227.526190.34
140-1.755-0.321601.1981.14260.33770.1146-0.03580.1146-0.13120.0624-0.03580.0624-0.20650.10250.0227-0.0807-0.0221-0.06180.0343-92.368539.264583.0867
150.1754-0.3144-0.36360.0310.1100.25440.1977-0.14370.19770.0354-0.0167-0.1437-0.0167-0.28980.10680.0439-0.01860.00810.0056-0.0132-101.67128.514484.4682
165.6328-2.2094-2.910402.91042.3285-0.18930.19450.1820.19450.3029-0.51730.182-0.5173-0.11360.3040.02480.04670.1130.152-0.2705-98.42236.7732118.212
170.4359-0.22390.552100.06980-0.30210.20810.04550.20810.24210.1860.04550.1860.06-0.00420.055-0.03560.0537-0.06050.0465-78.787121.09873.7059
180-0.7349-0.78930.7885-0.06430.4302-0.1283-0.06680.0204-0.06680.1130.12010.02040.12010.0153-0.0441-0.0199-0.04820.0913-0.08120.0429-77.539114.510660.1035
190-0.17930.59040.3892-0.26660.1492-0.1434-0.114-0.0492-0.1140.1665-0.0729-0.0492-0.0729-0.02310.06560.02240.0689-0.0241-0.03090.0648-70.453712.457544.0011
2001.5794-0.09270.16870.05040-0.19280.174-0.34840.174-0.1487-0.0897-0.3484-0.08970.3414-0.16910.043-0.05520.0703-0.1520.2122-101.9678.449561.4078
2101.7463-1.26960.25820.65921.406-0.14360.06330.00880.0633-0.04480.08490.00880.08490.1884-0.05710.10820.04920.0528-0.12650.1206-95.673517.343565.1797
220-0.1272-2.91042.6818-0.16950.7527-0.0131-0.5442-0.2552-0.5442-0.5181-0.0272-0.2552-0.02720.5312-0.08910.0916-0.07550.1159-0.13660.0643-102.46322.588861.9597
230-1.569-0.39870-2.02275.1510.2193-0.28560.2437-0.28560.10570.23440.24370.2344-0.325-0.0377-0.0861-0.08910.0767-0.1520.0329-101.3515.190254.5951
241.03910.81740.087302.91043.0993-0.18160.1177-0.45420.1177-0.02480.1819-0.45420.18190.2063-0.06370.07030.07390.0064-0.08970.1535-94.33113.598669.7245
2502.9104-2.91041.63061.9184.0538-0.22840.3673-0.04520.3673-0.08740.0819-0.04520.08190.3158-0.15790.1135-0.03340.1795-0.06140.051-95.11226.084544.5139
260-0.0369-0.400600.26320-0.0203-0.4047-0.1354-0.40470.1391-0.231-0.1354-0.231-0.11880.04140.0360.0717-0.058-0.10860.1191-65.77232.71236.8328
270-1.07730.12920.85190.06040-0.0206-0.1538-0.0176-0.1538-0.1537-0.1671-0.0176-0.16710.17430.07860.0795-0.0026-0.0341-0.00880.0524-80.037-1.767539.5123
280.9702-1.55750.495202.06771.9772-0.0394-0.5356-0.082-0.53560.0643-0.0493-0.082-0.0493-0.02490.2016-0.09520.0925-0.05660.0431-0.0404-74.6289-8.264541.9797
290.3474-2.7344-2.91040.0849-2.764800.1076-0.5442-0.3702-0.54420.2952-0.0833-0.3702-0.0833-0.40290.07530.0321-0.03770.0082-0.03430.0192-88.778310.004644.0038
300-0.1522-0.52420.0229-1.40800.02080.00280.35430.0028-0.4075-0.42780.3543-0.42780.3867-0.02920.04220.1270.0685-0.04690.0717-65.3968-5.739340.0409
318.3155-1.1745-2.91040.77730.614200.0337-0.25620.3385-0.25620.0825-0.33580.3385-0.3358-0.11620.12840.07260.047-0.07050.01270.0335-74.9868-7.336533.4427
320.0146-2.9104-1.08981.5494-1.21210-0.1836-0.49930.017-0.4993-0.1770.03830.0170.03830.36060.1092-0.0730.06920.0075-0.0337-0.0186-76.625-4.119529.5525
330-2.91042.91041.38992.91044.74050.00630.17910.54420.17910.5316-0.54420.5442-0.5442-0.5379-0.14360.0067-0.01130.3040.1520.2773-62.632-5.1759-18.8338
344.3164-0.09672.063802.15622.30420.1998-0.21420.2178-0.21420.1446-0.54420.2178-0.5442-0.3444-0.22490.152-0.00950.304-0.0425-0.0155-70.13991.4765-25.517
350-2.91042.91040-0.48850-0.21-0.1494-0.5442-0.14940.33430.4056-0.54420.4056-0.12430.03870.152-0.04370.2394-0.0936-0.1746-64.394110.8396-20.0599
360-0.7507-2.910401.18283.1647-0.10750.5442-0.19150.5442-0.1909-0.4118-0.1915-0.41180.2984-0.0176-0.08290.1520.3040.152-0.304-66.2269-0.7773-1.48
370.0849-0.6737-0.4950.13050.98360.9548-0.23720.009-0.23650.0090.3071-0.3522-0.2365-0.3522-0.0699-0.00370.1520.02550.304-0.0501-0.2018-56.50288.753-12.9806
381.8797-0.51610.427901.09590.50420.1828-0.2363-0.5442-0.2363-0.19740.5442-0.54420.54420.01460.23770.06230.11750.16350.152-0.304-54.803537.6618-4.4308
390-2.76971.27140-0.0461.57010.14280.2947-0.2250.2947-0.40150.456-0.2250.4560.25870.13990.152-0.01210.134-0.0353-0.1678-63.320430.568-3.7865
401.7890.1908-2.009900.73230.5274-0.1163-0.5442-0.5442-0.5442-0.2287-0.0704-0.5442-0.07040.3450.24960.1520.06110.1110.0147-0.2449-59.446635.0627-10.5268
410-1.2617-0.54760.16030.61580.89970.07650.0236-0.26190.0236-0.11510.5442-0.26190.54420.03860.21170.11010.00920.06230.0066-0.1667-62.613737.04950.2368
420-0.20842.91040-1.53250-0.19180.2182-0.43350.21820.3524-0.3754-0.4335-0.3754-0.16060.3036-0.0123-0.002-0.3040.07070.0973-72.93962.476228.5484
4302.6683-2.910402.140.1548-0.0321-0.054-0.5442-0.054-0.03450.1535-0.54420.15350.06660.182-0.12240.0354-0.23640.00970.1644-70.575458.867221.3832
443.52492.91041.927402.91042.86950.2626-0.386-0.5126-0.386-0.0512-0.07-0.5126-0.07-0.21150.08960.0608-0.0466-0.175-0.06550.1318-61.925257.550916.4998
4500.42540.11430.2672-0.901600.217-0.2720.2184-0.272-0.0447-0.04550.2184-0.0455-0.17220.10360.022-0.0469-0.0796-0.11510.0909-65.793957.720322.4542
460-1.05010.695401.51270-0.1604-0.204-0.0361-0.2040.3838-0.1962-0.0361-0.1962-0.22340.2576-0.1058-0.0683-0.29130.06770.1565-66.379867.62322.6809
472.18770.62461.079602.38472.0060.2010.2189-0.18930.2189-0.04270.2773-0.18930.2773-0.15830.09480.0279-0.0077-0.0309-0.05840.0218-69.575924.007618.6162
4800.7832-0.1650-0.00070.41450.0294-0.00360.2278-0.0036-0.19390.27230.22780.27230.16460.16180.1454-0.02160.0546-0.0812-0.1142-61.071521.770212.0497
4900.3661-0.16870-0.07570.5470.31730.04140.13730.0414-0.2270.12670.13730.1267-0.09030.14190.1042-0.02930.0471-0.0429-0.0911-64.202722.641513.5757
5001.6929-2.83741.8149-0.11550-0.30060.1629-0.41830.16290.2436-0.0822-0.4183-0.08220.0570.2150.1431-0.0212-0.0012-0.0839-0.138-68.569935.430631.183
511.693-0.52721.07882.6276-2.167100.14330.13990.36970.13990.2577-0.35060.3697-0.3506-0.4010.13820.0870.038-0.1741-0.01660.1227-78.189463.05623.8923
520.0888-0.38151.28210.8724-0.484900.1939-0.30040.3123-0.3004-0.33440.23180.31230.23180.14050.1104-0.0096-0.023-0.0539-0.02030.0691-78.76448.66926.1667
531.4617-0.34820.158401.84900.1723-0.54420.1237-0.54420.01130.40860.12370.4086-0.18370.1473-0.0151-0.0940.0179-0.0586-0.0666-85.04550.122820.9459
540-2.91042.85995.0822-2.91043.04260.14260.54420.32380.54420.2591-0.18990.3238-0.1899-0.40170.02270.0111-0.032-0.1171-0.01680.1588-64.654841.906628.3967
5500.98082.361800.55610-0.1062-0.29220.1014-0.2922-0.06880.2790.10140.2790.17490.0440.0377-0.068-0.0407-0.05690.1005-85.790856.791923.4601
561.41760.17592.91041.0886-0.79650-0.2720.32290.10410.3229-0.00030.06780.10410.06780.27230.07010.11770.1001-0.0606-0.09620.0947-84.437153.965433.6013
570-0.0662-0.55960.45050.02650-0.0649-0.1275-0.0437-0.12750.0733-0.0134-0.0437-0.0134-0.00830.0062-0.0233-0.04460.03620.03810.0574-49.165-9.891362.4241
580.10540.03580.24210-0.38910.1885-0.03670.03790.00470.03790.0738-0.0090.0047-0.009-0.0370.0234-0.0248-0.02010.06690.03540.0126-47.165-15.927369.6782
593.67612.00952.91041.08892.13123.1515-0.084-0.18330.2637-0.18330.0737-0.37010.2637-0.37010.01040.01040.0932-0.0636-0.0408-0.06140.0907-44.4771-23.8322103.819
600.79940.33140.75730-0.06360-0.33930.04480.03210.04480.2049-0.22890.0321-0.22890.13440.04070.0603-0.0851-0.0042-0.00460.0629-49.8403-18.803493.2285
6101.76440.47250.3201-0.70911.3807-0.2486-0.06580.4287-0.0658-0.047-0.07420.4287-0.07420.2956-0.09030.06780.00260.12410.10990.0839-23.9527-23.419367.735
620-1.93960.62480-0.30850.5619-0.0142-0.20420.0443-0.2042-0.21620.28540.04430.28540.2304-0.03040.01810.08570.0620.1520.0638-30.4855-14.297365.4827
630-0.5136-0.68181.45040.47960.30920.12950.33720.08790.3372-0.3785-0.43660.0879-0.43660.249-0.1902-0.025-0.11550.18430.1520.1006-23.1321-9.388566.7723
640-1.192-0.91950-2.15472.413-0.13720.3220.10470.3220.0438-0.29290.1047-0.29290.0934-0.0103-0.0021-0.14750.06050.14710.0431-22.3793-16.587274.3253
650.2495-2.4311-0.68880-0.70.40310.2143-0.08860.2497-0.08860.11560.19680.24970.1968-0.32990.0130.0519-0.02160.06970.11160.0295-33.4524-18.141561.9533
661.4045-2.9104-0.69480-1.30200.2649-0.41170.5441-0.4117-0.27940.11860.54410.11860.01450.0819-0.1239-0.09080.04320.0791-0.0274-25.8695-25.607385.8026
671.739-0.12811.12390.0149-2.91040-0.05380.2773-0.0920.27730.1971-0.1816-0.092-0.1816-0.1433-0.01990.0951-0.02830.1558-0.032-0.0278-52.3086-29.416101.145
681.05310.6853-1.55141.23060.21450-0.05310.25030.03510.25030.0389-0.07860.0351-0.07860.01410.0834-0.0654-0.06180.0509-0.0059-0.0341-39.2378-33.465294.527
692.6913-1.9129-1.01260-2.100500.13760.1060.12880.106-0.3499-0.18960.1288-0.18960.21220.183-0.11720.02840.059-0.0833-0.1736-44.9527-39.944193.5205
7002.91042.91040-2.91040-0.0787-0.3385-0.5244-0.33850.1515-0.5442-0.5244-0.5442-0.07280.1133-0.0831-0.06920.0440.0104-0.0338-31.9771-21.376588.0971
710.0351-0.3528-0.9820.6923-0.10240-0.0477-0.54420.1942-0.5442-0.28590.23280.19420.23280.33360.0281-0.09590.010.21620.0201-0.1431-53.3514-37.747697.9029
725.52832.9104-2.910400.06821.66570.2398-0.02090.029-0.0209-0.11650.13280.0290.1328-0.12340.16540.07680.0474-0.0427-0.0434-0.0207-42.3603-39.272101.564
731.90750.5048-0.87510.41621.78920-0.08130.07510.14740.0751-0.06980.01330.14740.01330.15110.24380.07780.01350.0140.0546-0.1483-39.7927-36.1565104.92
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1{ A|334 - A|349 }A334 - 349
2X-RAY DIFFRACTION2{ A|350 - A|364 }A350 - 364
3X-RAY DIFFRACTION3{ A|365 - A|380 }A365 - 380
4X-RAY DIFFRACTION4{ A|381 - A|393 }A381 - 393
5X-RAY DIFFRACTION5{ A|394 - A|409 }A394 - 409
6X-RAY DIFFRACTION6{ A|410 - A|442 }A410 - 442
7X-RAY DIFFRACTION7{ A|443 - A|459 }A443 - 459
8X-RAY DIFFRACTION8{ A|460 - A|494 }A460 - 494
9X-RAY DIFFRACTION9{ A|495 - A|528 }A495 - 528
10X-RAY DIFFRACTION10{ B|334 - B|358 }B334 - 358
11X-RAY DIFFRACTION11{ B|359 - B|393 }B359 - 393
12X-RAY DIFFRACTION12{ B|394 - B|409 }B394 - 409
13X-RAY DIFFRACTION13{ B|410 - B|459 }B410 - 459
14X-RAY DIFFRACTION14{ B|460 - B|479 }B460 - 479
15X-RAY DIFFRACTION15{ B|480 - B|516 }B480 - 516
16X-RAY DIFFRACTION16{ B|517 - B|528 }B517 - 528
17X-RAY DIFFRACTION17{ C|1 - C|82 }C1 - 82
18X-RAY DIFFRACTION19{ C|135 - C|215 }C135 - 215
19X-RAY DIFFRACTION20{ D|1 - D|25 }D1 - 25
20X-RAY DIFFRACTION21{ D|26 - D|48 }D26 - 48
21X-RAY DIFFRACTION22{ D|49 - D|69 }D49 - 69
22X-RAY DIFFRACTION23{ D|70 - D|83 }D70 - 83
23X-RAY DIFFRACTION24{ D|84 - D|101 }D84 - 101
24X-RAY DIFFRACTION25{ D|102 - D|113 }D102 - 113
25X-RAY DIFFRACTION26{ D|114 - D|128 }D114 - 128
26X-RAY DIFFRACTION27{ D|129 - D|150 }D129 - 150
27X-RAY DIFFRACTION28{ D|151 - D|163 }D151 - 163
28X-RAY DIFFRACTION29{ D|164 - D|174 }D164 - 174
29X-RAY DIFFRACTION30{ D|175 - D|188 }D175 - 188
30X-RAY DIFFRACTION31{ D|189 - D|198 }D189 - 198
31X-RAY DIFFRACTION32{ D|199 - D|214 }D199 - 214
32X-RAY DIFFRACTION33{ E|334 - E|358 }E334 - 358
33X-RAY DIFFRACTION34{ E|359 - E|409 }E359 - 409
34X-RAY DIFFRACTION35{ E|410 - E|437 }E410 - 437
35X-RAY DIFFRACTION36{ E|438 - E|451 }E438 - 451
36X-RAY DIFFRACTION37{ E|452 - E|528 }E452 - 528
37X-RAY DIFFRACTION38{ F|1 - F|33 }F1 - 33
38X-RAY DIFFRACTION39{ F|34 - F|59 }F34 - 59
39X-RAY DIFFRACTION40{ F|60 - F|82 }F60 - 82
40X-RAY DIFFRACTION42{ F|120 - F|134 }F120 - 134
41X-RAY DIFFRACTION43{ F|135 - F|145 }F135 - 145
42X-RAY DIFFRACTION44{ F|146 - F|157 }F146 - 157
43X-RAY DIFFRACTION45{ F|158 - F|203 }F158 - 203
44X-RAY DIFFRACTION46{ F|204 - F|215 }F204 - 215
45X-RAY DIFFRACTION47{ G|1 - G|18 }G1 - 18
46X-RAY DIFFRACTION48{ G|19 - G|61 }G19 - 61
47X-RAY DIFFRACTION49{ G|62 - G|102 }G62 - 102
48X-RAY DIFFRACTION50{ G|103 - G|113 }G103 - 113
49X-RAY DIFFRACTION51{ G|114 - G|128 }G114 - 128
50X-RAY DIFFRACTION52{ G|129 - G|150 }G129 - 150
51X-RAY DIFFRACTION53{ G|151 - G|163 }G151 - 163
52X-RAY DIFFRACTION54{ G|164 - G|174 }G164 - 174
53X-RAY DIFFRACTION55{ G|175 - G|198 }G175 - 198
54X-RAY DIFFRACTION56{ G|199 - G|214 }G199 - 214
55X-RAY DIFFRACTION57{ H|1 - H|82 }H1 - 82
56X-RAY DIFFRACTION59{ H|125 - H|143 }H125 - 143
57X-RAY DIFFRACTION60{ H|144 - H|215 }H144 - 215
58X-RAY DIFFRACTION61{ L|1 - L|25 }L1 - 25
59X-RAY DIFFRACTION62{ L|26 - L|48 }L26 - 48
60X-RAY DIFFRACTION63{ L|49 - L|69 }L49 - 69
61X-RAY DIFFRACTION64{ L|70 - L|83 }L70 - 83
62X-RAY DIFFRACTION65{ L|84 - L|101 }L84 - 101
63X-RAY DIFFRACTION66{ L|102 - L|113 }L102 - 113
64X-RAY DIFFRACTION67{ L|114 - L|128 }L114 - 128
65X-RAY DIFFRACTION68{ L|129 - L|150 }L129 - 150
66X-RAY DIFFRACTION69{ L|151 - L|163 }L151 - 163
67X-RAY DIFFRACTION70{ L|164 - L|174 }L164 - 174
68X-RAY DIFFRACTION71{ L|175 - L|188 }L175 - 188
69X-RAY DIFFRACTION72{ L|189 - L|198 }L189 - 198
70X-RAY DIFFRACTION73{ L|199 - L|214 }L199 - 214

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