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- PDB-9c6y: Crystal structure of SARS-CoV-2 XBB.1.5 RBD bound to COV2-3906 Fab -

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Basic information

Entry
Database: PDB / ID: 9c6y
TitleCrystal structure of SARS-CoV-2 XBB.1.5 RBD bound to COV2-3906 Fab
Components
  • Heavy chain of COV2-3906 Fab
  • Light chain of COV2-3906 Fab
  • Spike protein S2'
KeywordsVIRAL PROTEIN/IMMUNE SYSTEM / coronavirus / antibody / fab / IMMUNE SYSTEM / VIRAL PROTEIN-IMMUNE SYSTEM complex
Function / homology
Function and homology information


symbiont-mediated disruption of host tissue / Maturation of spike protein / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / viral translation / host extracellular space / symbiont-mediated-mediated suppression of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion ...symbiont-mediated disruption of host tissue / Maturation of spike protein / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / viral translation / host extracellular space / symbiont-mediated-mediated suppression of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / membrane fusion / entry receptor-mediated virion attachment to host cell / Attachment and Entry / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / positive regulation of viral entry into host cell / receptor-mediated virion attachment to host cell / host cell surface receptor binding / symbiont-mediated suppression of host innate immune response / receptor ligand activity / endocytosis involved in viral entry into host cell / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / symbiont entry into host cell / 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 / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal / Spike glycoprotein, N-terminal domain superfamily / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Spike glycoprotein, betacoronavirus / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus ...Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal / Spike glycoprotein, N-terminal domain superfamily / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Spike glycoprotein, betacoronavirus / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike (S) protein S1 subunit, receptor-binding domain, 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 superfamily, coronavirus / Spike glycoprotein S2, coronavirus, heptad repeat 1 / Spike glycoprotein S2, coronavirus, heptad repeat 2 / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 1 (HR1) region profile. / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 2 (HR2) region profile. / Spike glycoprotein S2, coronavirus / Coronavirus spike glycoprotein S2
Similarity search - Domain/homology
2-acetamido-2-deoxy-alpha-D-galactopyranose / Spike glycoprotein
Similarity search - Component
Biological speciesHomo sapiens (human)
Severe acute respiratory syndrome coronavirus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.68 Å
AuthorsBuchman, C.D. / Crowe, J.E.
Funding support United States, 2items
OrganizationGrant numberCountry
Defense Advanced Research Projects Agency (DARPA)HR0011-18-2-0001 United States
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)R01 AI157155 United States
CitationJournal: To Be Published
Title: Epitope-focused discovery of SARS-CoV-2 antibodies that potently neutralize Omicron variants
Authors: Zost, S.J. / Buchman, C.D. / Crowe, J.E.
History
DepositionJun 10, 2024Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 8, 2025Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Heavy chain of COV2-3906 Fab
B: Light chain of COV2-3906 Fab
C: Heavy chain of COV2-3906 Fab
D: Light chain of COV2-3906 Fab
E: Spike protein S2'
F: Spike protein S2'
hetero molecules


Theoretical massNumber of molelcules
Total (without water)146,09919
Polymers143,0366
Non-polymers3,06413
Water1,69394
1
A: Heavy chain of COV2-3906 Fab
B: Light chain of COV2-3906 Fab
E: Spike protein S2'
hetero molecules


Theoretical massNumber of molelcules
Total (without water)73,11311
Polymers71,5183
Non-polymers1,5958
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7560 Å2
ΔGint-47 kcal/mol
Surface area29810 Å2
MethodPISA
2
C: Heavy chain of COV2-3906 Fab
D: Light chain of COV2-3906 Fab
F: Spike protein S2'
hetero molecules


Theoretical massNumber of molelcules
Total (without water)72,9878
Polymers71,5183
Non-polymers1,4695
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7570 Å2
ΔGint-39 kcal/mol
Surface area30060 Å2
MethodPISA
Unit cell
Length a, b, c (Å)66.971, 170.851, 231.543
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2

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Components

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Protein , 1 types, 2 molecules EF

#3: Protein Spike protein S2'


Mass: 24446.715 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus
Gene: S, 2 / Production host: Homo sapiens (human) / References: UniProt: P0DTC2

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Antibody , 2 types, 4 molecules ACBD

#1: Antibody Heavy chain of COV2-3906 Fab


Mass: 23972.875 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Cricetulus griseus (Chinese hamster)
#2: Antibody Light chain of COV2-3906 Fab


Mass: 23098.311 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Cricetulus griseus (Chinese hamster)

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Sugars , 4 types, 6 molecules

#4: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 732.682 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1221m-1a_1-5]/1-1-2-3/a4-b1_a6-d1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#5: Polysaccharide alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 894.823 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-6DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/4,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-4/a4-b1_a6-e1_b4-c1_c6-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(6+1)][a-D-Manp]{}}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#8: 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.: 2 / 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
#9: Sugar ChemComp-A2G / 2-acetamido-2-deoxy-alpha-D-galactopyranose / N-acetyl-alpha-D-galactosamine / 2-acetamido-2-deoxy-alpha-D-galactose / 2-acetamido-2-deoxy-D-galactose / 2-acetamido-2-deoxy-galactose / N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE


Type: D-saccharide, alpha linking / Mass: 221.208 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGalpNAcaCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-a-D-galactopyranosamineCOMMON NAMEGMML 1.0
a-D-GalpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GalNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 3 types, 101 molecules

#6: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: SO4
#7: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#10: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 94 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN
Has protein modificationY

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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: 4.63 Å3/Da / Density % sol: 73.44 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 1.4 M ammonium sulfate, 0.1 M sodium acetate pH 5.1, 2 mM DL-panthenol

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: MASSIF-3 / Wavelength: 0.961 Å
DetectorType: DECTRIS EIGER X 4M / Detector: PIXEL / Date: Apr 9, 2024
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.961 Å / Relative weight: 1
ReflectionResolution: 2.68→48.5 Å / Num. obs: 75613 / % possible obs: 99.9 % / Redundancy: 13.8 % / Biso Wilson estimate: 69.31 Å2 / CC1/2: 0.996 / Net I/σ(I): 10.7
Reflection shellResolution: 2.68→2.77 Å / Redundancy: 14.5 % / Mean I/σ(I) obs: 0.9 / Num. unique obs: 7276 / CC1/2: 0.492 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.68→48.5 Å / SU ML: 0.4641 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.4561
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2418 1999 2.65 %
Rwork0.2073 73516 -
obs0.2082 75515 99.89 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 67.73 Å2
Refinement stepCycle: LAST / Resolution: 2.68→48.5 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9810 0 192 94 10096
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.009610268
X-RAY DIFFRACTIONf_angle_d1.066914057
X-RAY DIFFRACTIONf_chiral_restr0.05831613
X-RAY DIFFRACTIONf_plane_restr0.00851786
X-RAY DIFFRACTIONf_dihedral_angle_d7.15681479
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.68-2.750.48121390.47285122X-RAY DIFFRACTION99.91
2.75-2.820.4331420.3995192X-RAY DIFFRACTION99.96
2.82-2.90.36941420.32425220X-RAY DIFFRACTION100
2.9-30.31711400.28215165X-RAY DIFFRACTION100
3-3.110.32741420.27615204X-RAY DIFFRACTION99.96
3.11-3.230.34091420.27845200X-RAY DIFFRACTION99.98
3.23-3.380.34751420.29575215X-RAY DIFFRACTION100
3.38-3.550.3041420.2195252X-RAY DIFFRACTION100
3.55-3.780.25531420.19855220X-RAY DIFFRACTION100
3.78-4.070.22621420.18825190X-RAY DIFFRACTION98.91
4.07-4.480.1841440.15145302X-RAY DIFFRACTION100
4.48-5.120.18181430.13745291X-RAY DIFFRACTION100
5.12-6.450.1971450.17085345X-RAY DIFFRACTION100
6.45-48.50.18071520.19145598X-RAY DIFFRACTION99.83
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)
10.645377270976-0.0295971949543-1.363099470684.452239136882.61275508754.515363756740.2981376320670.1661751586580.373371668386-0.6580782646680.0250395787747-0.375178660268-0.4467474096960.461534180521-0.3511473669410.426547888405-0.01431755284580.05583083910930.5537281164640.0383287462290.54029581467724.422849126143.925823228725.4143765696
20.4501593352650.526590743059-1.164000707484.251039668020.8275944712583.357451264560.124834546261-0.0503093094322-0.02797133467040.341050119447-0.0405548502126-0.3461777790120.02126434153620.482728487585-0.07786158627290.250879194095-0.00364045365319-0.05964458269110.46641853976-0.0417715869250.42492356854121.954926867444.784585625737.5710906008
30.184734931071-0.6446337297760.01340761577852.890481354181.527752264144.547722289180.1559183573990.264491823254-0.04957726089080.00277101012014-0.219817166784-0.276080334639-0.2608436771690.09637241321550.08748442674920.255837280221-0.00941123891654-0.008723908390920.4260076987690.005006381397370.42331957235919.749136396145.336866626634.6153497854
40.856839914141.18112516248-1.420936768243.086338908740.5563313583714.533826255250.09570031256950.4814725388090.111261670035-0.441127774538-0.3880555459460.911229260845-0.098391070322-0.3235490810920.3154386777870.2485808314830.0425258156828-0.07779906448520.565684143355-0.1407297628060.6137922329812.793352628942.46753489793.25240566986
50.4052602878611.232361303870.0500312740023.89543076508-0.0517165735412.86854354597-0.2225573392660.1575299904740.01374083266110.0475054702976-0.02271263765150.312985943757-0.1711357099980.09218504630580.1800816609630.2560760454520.04236620903070.04194646854820.613678294544-0.05384387175960.55640122766513.414245939845.64372295856.54122675775
60.3693882174251.440776372270.1774178281056.13457356232-0.4472919706033.05306927227-0.161759022793-0.0241030953140.214549865648-0.007606631143870.1278652083990.485497414395-0.336004541454-0.2492513456760.02256996212880.2243613069660.0717784518564-0.01784600878180.554537221677-0.0158526974580.48253264919912.028522827848.07491905464.43121129553
74.094908127160.6755706507441.324401297114.891458873730.05195295164286.721528682340.1603447882510.208745058051-0.0959459661593-0.009521896008890.07875957920640.5389024510820.281052565188-0.719752198951-0.2215216984390.267727247548-0.008657655070510.03344752733920.459709337793-0.01437772172830.409431138257-0.58185169290441.133839184239.0198945062
80.2335114113670.1943558718790.3173199117480.838129514859-0.1012394914024.12560858924-0.02577867062440.1015037590550.00344370692618-0.02451185506980.02594377139490.1396829710140.379438189384-0.438235502152-0.01518941333390.208371758490.0260035793693-0.01774136192920.483904330301-0.02197845058990.4906642241655.1607170347238.240729813514.4959000807
95.25469533777-0.0973089486666-2.171665025542.25881713220.7879449327025.21979130111-0.108106181375-0.00169173145697-0.0765621024088-0.01815471694340.1036257654950.0399720840050.1437107254420.148970468423-0.03403503240230.247595360.0619740683142-0.01864691399720.5350458904660.01365581237090.4807068728761.1167934962733.5387847692-0.599720971162
104.960639570480.1118472868911.665566814151.68311268085-0.579841715812.807548340080.0495271993134-0.05790494391270.1412710621040.125132196148-0.02835581341620.320324349782-0.227925447433-0.328084363754-0.0207751979330.6412774411670.1309689929010.04063352694030.4882065279140.1080136795150.56418175666129.7670112736.9142725481555.4320217974
113.691983419080.4300977295281.332856343020.672303402888-1.792123056676.20417082638-0.413634538302-0.541982068344-0.729770224824-0.0293157538050.3199663420690.03110707930461.350688183680.1863982733020.1184379478070.7476275703630.1560721597840.1194240983090.6480929841140.2099058581460.92651573925213.19173008847.9478804095230.2153440748
125.457290453430.8094563414130.3708542879876.099426737134.901179803227.143954821510.1001496740260.294257399128-1.32465302595-0.3686100508130.400495147229-0.8346245335931.532423107480.349617662799-0.5305760661291.301965601230.1633945303350.1333069911480.8144616378270.03702531234051.0261487502815.05024756152.4645000757320.2949246458
132.619735545730.3337694180150.1114139000474.726056647732.981514905681.83954589288-0.43138114689-0.599559253929-0.8447362866660.576233127075-0.08035388084160.5811666195272.3511923682-0.0628448554960.5052819124451.283766482750.1302510095080.3038853835770.7351378304730.234815956661.148112917718.86966935730.042194981508828.977568324
142.312420445210.6403338684260.5444439982252.37375290599-1.13279637637.35907964223-0.04370023265590.3939552544670.458004763625-0.2464954865860.04772812232870.0503870329263-0.8641225713760.03180658947650.01951268959340.652417286280.0585290489534-0.003199466628730.4633552252230.1268123959160.5862912036346.057759466114.955383151443.2901259923
155.62563049006-0.01584693109890.6527438463533.61617044519-0.5824719262064.978737754190.210538341675-0.318607971133-0.9482408585360.10981022249-0.118969784598-0.09545772147280.6905777242010.235848705017-0.07105526323050.4679770995520.0755925041553-0.008827568610030.3649500424340.01366118750640.51014245095817.534401709417.206424576920.5645266714
165.215600804320.00966390746442-0.3469384812686.32940492218-0.4649243365378.874704554380.1866642996050.1416189342040.358404386375-0.411670245353-0.05692218088380.8068259512950.409257762172-0.623009345567-0.08190458758560.388561143236-0.00043965764214-0.03147120991620.36075011056-0.06837743431350.53362296620110.482856282120.371899837815.2116127189
171.029095521990.9609647219920.01060104003686.74178661698-2.745959795843.238314677020.211160708435-0.4110587645480.1405605999911.42767153313-0.367490444194-0.417999071342-0.179720882772-0.06801318804760.123140536420.709754984466-0.125593533645-0.08081764320060.550754445854-0.05831575047990.42512151345717.949440897256.17353200664.9494362313
181.14530501664-0.0265093600953-0.4042915417092.99062221264-0.6610137673492.398591676730.152082144888-0.1911375603180.004141712806020.799660111951-0.134413268318-0.0780690574363-0.0367095527895-0.0771709731324-0.02966458252490.586396525184-0.0948762398947-0.06862501278430.45010823593-0.0498430395240.3803762846549.8637469538846.835175462.1527292063
194.85645289802-1.043627958910.1260945035373.18841387945-1.003157880842.651734098440.0988231403605-1.133220854660.2962647206420.941408455952-0.04597715122780.04175777315050.04651791533460.204166827565-0.001104065531681.13028273573-0.195032527713-0.05607484605680.751041061507-0.06569051069610.4583051071865.3929014398638.325224236281.3853387469
201.306331551650.403596297846-0.02093021234953.12531003341-0.3854327576822.285619008220.169417685164-0.478561343899-0.1527422765670.590816622446-0.08306093404850.1991033907790.339323721953-0.104855946899-0.02221325439190.801907727355-0.100825173726-0.1136060561530.629071581052-0.01800254998020.4173829540449.2113927197839.466221632373.1271469234
215.96848320295-2.856075217856.363883979039.871902973273.67669213922.00786937506-0.03455969941980.6487488794310.469608711885-0.4244652534020.030640643867-0.962172884293-0.3903985914650.62978525819-0.1050933765460.652244799121-0.119085071114-0.03650263240470.469081466736-0.01382921486040.62989556116219.852003542664.196403809549.0536098827
220.8346160031491.93355737693-0.003724263349564.227908935170.3459362267840.8557471792520.226747069678-0.286676778752-0.1265608156151.0933146035-0.277994201015-0.2783818796980.09116911224980.01052447537670.04496145928180.837530279996-0.0185729707968-0.01749882035020.5119789191260.05465385541790.49551996172353.07934592540.24537236696172.1679397626
232.022888635941.210429969650.3198341217381.909013443840.2009670520751.324854693420.0658273875864-0.1371461770450.03494754088810.195932510612-0.020950583955-0.0252814126881-0.35212313580.10206167215-0.07272474561310.870947197825-0.0388827307-0.06151631810530.4736141081920.0641617361240.49766014481761.044790045613.177734409868.3514786817
243.371479774563.055770291180.7453783426915.391354271172.244218715511.171492656380.453997921441-1.01205305614-0.5425888833251.16710414769-0.27588603058-0.895519817822-0.3541803141570.0753626071422-0.1975436282441.21019574495-0.200103597405-0.2519946635620.7925098974480.161656299720.59736771481777.234280051720.505209732582.1445539909
251.147193641511.45547342050.2162217062664.26012194031.512390888712.37859753110.1136387986-0.1365073213680.1183379240.277753570857-0.2544741204710.187748349231-0.04528736418630.02024612735720.09601921227550.6317061064730.0363462879509-0.02143763009210.4779026011910.06335703395530.42767763104754.75249257257.2134620806368.7454790358
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 1 through 17 )AA1 - 171 - 17
22chain 'A' and (resid 18 through 73 )AA18 - 7318 - 73
33chain 'A' and (resid 74 through 118 )AA74 - 11874 - 118
44chain 'A' and (resid 119 through 143 )AA119 - 143119 - 143
55chain 'A' and (resid 144 through 166 )AA144 - 166144 - 166
66chain 'A' and (resid 167 through 223 )AA167 - 223167 - 223
77chain 'B' and (resid 1 through 94 )BB1 - 941 - 94
88chain 'B' and (resid 95 through 133 )BB95 - 13395 - 133
99chain 'B' and (resid 134 through 213 )BB134 - 213134 - 213
1010chain 'C' and (resid 1 through 118 )CC1 - 1181 - 118
1111chain 'C' and (resid 119 through 184 )CC119 - 184119 - 179
1212chain 'C' and (resid 185 through 200 )CC185 - 200180 - 195
1313chain 'C' and (resid 201 through 224 )CC201 - 224196 - 219
1414chain 'D' and (resid 1 through 110 )DD1 - 1101 - 110
1515chain 'D' and (resid 111 through 177 )DD111 - 177111 - 177
1616chain 'D' and (resid 178 through 213 )DD178 - 213178 - 213
1717chain 'E' and (resid 321 through 358 )EE321 - 3581 - 38
1818chain 'E' and (resid 359 through 442 )EE359 - 44239 - 122
1919chain 'E' and (resid 443 through 479 )EE443 - 479123 - 159
2020chain 'E' and (resid 480 through 523 )EE480 - 523160 - 203
2121chain 'E' and (resid 524 through 534 )EE524 - 534204 - 214
2222chain 'F' and (resid 321 through 373 )FL321 - 3731 - 53
2323chain 'F' and (resid 374 through 459 )FL374 - 45954 - 139
2424chain 'F' and (resid 460 through 494 )FL460 - 494140 - 174
2525chain 'F' and (resid 495 through 534 )FL495 - 534175 - 214

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