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- PDB-3gbm: Crystal Structure of Fab CR6261 in Complex with a H5N1 influenza ... -

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Basic information

Entry
Database: PDB / ID: 3gbm
TitleCrystal Structure of Fab CR6261 in Complex with a H5N1 influenza virus hemagglutinin.
Components
  • (Hemagglutinin) x 2
  • (antibody (Fab)) x 2
Keywordsviral protein / immune system / hemagglutinin / Fab / neutralizing antibodies / antibody / avian flu / Envelope protein / Fusion protein / viral protein - immune system COMPLEX
Function / homology
Function and homology information


clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / apical plasma membrane / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / identical protein binding
Similarity search - Function
Hemagglutinin; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / Hemagglutinin Ectodomain; Chain B - #10 / Hemagglutinin Ectodomain; Chain B / Hemagglutinin (Ha1 Chain); Chain: A; domain 1 / Haemagglutinin, alpha/beta domain, HA1 chain / Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B ...Hemagglutinin; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / Hemagglutinin Ectodomain; Chain B - #10 / Hemagglutinin Ectodomain; Chain B / Hemagglutinin (Ha1 Chain); Chain: A; domain 1 / Haemagglutinin, alpha/beta domain, HA1 chain / Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B / Viral capsid/haemagglutinin protein / Ribbon / Immunoglobulins / Alpha-Beta Complex / Immunoglobulin-like / Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
beta-D-mannopyranose / Hemagglutinin
Similarity search - Component
Biological speciesInfluenza A virus
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.7 Å
AuthorsEkiert, D.C. / Elsliger, M.A. / Wilson, I.A.
CitationJournal: Science / Year: 2009
Title: Antibody recognition of a highly conserved influenza virus epitope.
Authors: Ekiert, D.C. / Bhabha, G. / Elsliger, M.A. / Friesen, R.H. / Jongeneelen, M. / Throsby, M. / Goudsmit, J. / Wilson, I.A.
History
DepositionFeb 20, 2009Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 10, 2009Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Advisory / Version format compliance
Revision 2.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_struct_special_symmetry / pdbx_unobs_or_zero_occ_atoms / struct_asym / struct_conn / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.occupancy / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _pdbx_entity_nonpoly.entity_id / _pdbx_entity_nonpoly.name / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_special_symmetry.label_asym_id / _pdbx_unobs_or_zero_occ_atoms.label_asym_id / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role / _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
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Sep 6, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_sheet
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_sheet.number_strands

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Hemagglutinin
B: Hemagglutinin
C: Hemagglutinin
D: Hemagglutinin
H: antibody (Fab)
L: antibody (Fab)
I: antibody (Fab)
M: antibody (Fab)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)213,73420
Polymers211,2038
Non-polymers2,53112
Water2,954164
1
A: Hemagglutinin
B: Hemagglutinin
H: antibody (Fab)
L: antibody (Fab)
hetero molecules

A: Hemagglutinin
B: Hemagglutinin
H: antibody (Fab)
L: antibody (Fab)
hetero molecules

A: Hemagglutinin
B: Hemagglutinin
H: antibody (Fab)
L: antibody (Fab)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)321,07133
Polymers316,80412
Non-polymers4,26721
Water21612
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation8_544-z,x-1/2,-y-1/21
crystal symmetry operation11_545y+1/2,-z-1/2,-x1
Buried area48340 Å2
ΔGint-195 kcal/mol
Surface area116590 Å2
MethodPISA
2
C: Hemagglutinin
D: Hemagglutinin
I: antibody (Fab)
M: antibody (Fab)
hetero molecules

C: Hemagglutinin
D: Hemagglutinin
I: antibody (Fab)
M: antibody (Fab)
hetero molecules

C: Hemagglutinin
D: Hemagglutinin
I: antibody (Fab)
M: antibody (Fab)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)320,13127
Polymers316,80412
Non-polymers3,32715
Water21612
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation5_555z,x,y1
crystal symmetry operation9_555y,z,x1
Buried area45780 Å2
ΔGint-211 kcal/mol
Surface area113790 Å2
MethodPISA
Unit cell
Length a, b, c (Å)202.761, 202.761, 202.761
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number198
Space group name H-MP213
Components on special symmetry positions
IDModelComponents
11B-283-

HOH

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Components

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Protein , 2 types, 4 molecules ACBD

#1: Protein Hemagglutinin /


Mass: 37948.020 Da / Num. of mol.: 2 / Fragment: Receptor Binding Domain, HA1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus (A/Viet Nam/1203/2004(H5N1))
Strain: A/VIETNAM/1203/2004 / Gene: HA, Hemagglutinin (HA) / Plasmid: pFASTBAC-HT / Production host: TRICHOPLUSIA NI (cabbage looper) / Strain (production host): HI5 / References: UniProt: Q6DQ33
#2: Protein Hemagglutinin /


Mass: 20414.504 Da / Num. of mol.: 2 / Fragment: Membrane Fusion Domain, HA2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus (A/Viet Nam/1203/2004(H5N1))
Strain: A/VIETNAM/1203/2004 / Gene: HA, Hemagglutinin (HA) / Plasmid: pFASTBAC-HT / Production host: TRICHOPLUSIA NI (cabbage looper) / Strain (production host): HI5 / References: UniProt: Q6DQ33

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Antibody , 2 types, 4 molecules HILM

#3: Antibody antibody (Fab)


Mass: 23981.137 Da / Num. of mol.: 2 / Fragment: Fab Heavy Chain
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human)
#4: Antibody antibody (Fab)


Mass: 23257.783 Da / Num. of mol.: 2 / Fragment: Fab Lambda Light Chain
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human)

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Sugars , 3 types, 9 molecules

#5: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#6: 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 / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 5
Source method: isolated from a genetically manipulated source
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
#7: Sugar ChemComp-BMA / beta-D-mannopyranose / beta-D-mannose / D-mannose / mannose / Mannose


Type: D-saccharide, beta linking / Mass: 180.156 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Formula: C6H12O6
IdentifierTypeProgram
DManpbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
b-D-mannopyranoseCOMMON NAMEGMML 1.0
b-D-ManpIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
ManSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 3 types, 167 molecules

#8: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C2H6O2
#9: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C3H8O3
#10: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 164 / 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: 3.29 Å3/Da / Density % sol: 62.66 %
Crystal growTemperature: 295 K / Method: vapor diffusion, sitting drop / pH: 6
Details: 12% PEG 6000, 10mM sodium acetate pH 6.0 Cryoprotectant: 25% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 295K

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Data collection

DiffractionMean temperature: 75 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.0333 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Oct 17, 2008
RadiationMonochromator: Double crystal cryo-cooled Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0333 Å / Relative weight: 1
ReflectionResolution: 2.7→49 Å / Num. obs: 76118 / % possible obs: 100 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 2 / Redundancy: 21.4 % / Biso Wilson estimate: 81.4 Å2 / Rsym value: 0.13 / Net I/σ(I): 18.4
Reflection shellResolution: 2.7→2.76 Å / Redundancy: 12.2 % / Mean I/σ(I) obs: 2.03 / Rsym value: 0.79 / % possible all: 99.9

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Processing

Software
NameVersionClassification
Blu-Icedata collection
PHASERphasing
REFMAC5.5.0044refinement
HKL-2000data reduction
SCALEPACKdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1ADQ 2FK0

1adq

2fk0


Resolution: 2.7→49 Å / Cor.coef. Fo:Fc: 0.947 / Cor.coef. Fo:Fc free: 0.912 / SU B: 23.817 / SU ML: 0.238 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.641 / ESU R Free: 0.334 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.26067 3645 5.1 %RANDOM
Rwork0.20291 ---
obs0.20586 67938 94.05 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK
Displacement parametersBiso mean: 41.605 Å2
Refinement stepCycle: LAST / Resolution: 2.7→49 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13853 0 162 164 14179
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0120.02214381
X-RAY DIFFRACTIONr_bond_other_d0.0010.029362
X-RAY DIFFRACTIONr_angle_refined_deg1.4321.95419607
X-RAY DIFFRACTIONr_angle_other_deg0.8863.00322863
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.96451817
X-RAY DIFFRACTIONr_dihedral_angle_2_deg35.29625.074607
X-RAY DIFFRACTIONr_dihedral_angle_3_deg17.182152165
X-RAY DIFFRACTIONr_dihedral_angle_4_deg16.8381544
X-RAY DIFFRACTIONr_chiral_restr0.080.22190
X-RAY DIFFRACTIONr_gen_planes_refined0.0060.02116135
X-RAY DIFFRACTIONr_gen_planes_other0.0010.022764
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it0.4731.59089
X-RAY DIFFRACTIONr_mcbond_other0.0791.53700
X-RAY DIFFRACTIONr_mcangle_it0.899214613
X-RAY DIFFRACTIONr_scbond_it1.44135292
X-RAY DIFFRACTIONr_scangle_it2.4654.54992
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
LS refinement shellResolution: 2.7→2.77 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.495 253 -
Rwork0.437 4980 -
obs--94.2 %
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)
11.43780.27881.6931.78671.25022.484-0.3267-0.1198-0.0532-0.31390.16010.4241-0.516-0.04250.16660.10970.0002-0.05090.02980.05090.110913.7281-62.6671-26.4128
21.93451.4871-1.30381.1789-1.06330.98460.16480.1170.38510.18920.07990.2845-0.22-0.0647-0.24460.1263-0.00390.02040.0090.02620.086843.309-25.0514-48.6777
31.88140.5397-0.73621.3405-0.32991.38690.0527-0.02910.3890.1365-0.0126-0.0815-0.41830.0564-0.04010.1803-0.0178-0.00960.0023-0.00230.154761.8696-12.9446-58.5883
42.62650.2314-0.51521.5288-0.25270.83450.0468-0.10630.2433-0.0565-0.1299-0.1862-0.24640.09790.08310.0946-0.0158-0.01410.02010.01920.079863.7825-20.3868-59.8189
52.56513.54890.62088.5021-0.76640.9681-0.1349-0.00740.2560.35570.17780.2999-0.2834-0.1567-0.04290.08520.04610.00960.05770.07880.175535.078-33.7389-41.6887
64.99593.2243-5.00998.778-5.35275.6946-0.1003-0.0281-0.2567-0.4532-0.2121-0.34360.22240.08920.31240.02460.01180.01540.00570.00660.017933.1221-45.8889-39.296
78.1938-0.3538-6.34510.90581.32646.38270.05160.13240.04430.2355-0.15240.1270.1881-0.45180.10090.07670.0030.03910.1614-0.00640.020411.4311-65.2155-16.7133
87.6284-0.673-4.06731.1481-0.5366.48680.1244-0.1953-0.42330.237-0.2782-0.3127-0.35760.47670.15380.0608-0.0731-0.07840.08830.09160.171531.5105-56.7525-21.8828
96.46552.0737-5.12461.9834-2.02369.07190.14170.07490.1020.3151-0.09040.0918-0.6088-0.2069-0.05130.094-0.00630.01030.0174-0.00570.004748.844-42.6794-54.8434
105.4022.7165-4.26571.4154-2.14034.25420.03630.1952-0.01990.00580.07320.0029-0.0973-0.1287-0.10950.00880.00560.00570.0192-0.01080.021134.4887-57.1938-39.6369
112.92930.1276-2.54723.7897-4.21786.709-0.4897-0.363-0.33120.35660.31550.06380.058-0.05190.17420.170.08580.03070.07550.0530.059714.4912-74.4008-8.7515
128.42368.7686-3.57039.1582-3.32317.19290.3302-0.5081-0.33230.3678-0.5618-0.31290.4456-0.6390.23160.2459-0.00160.04860.22740.08020.26094.8166-87.3724-1.8075
134.54492.29271.12552.52590.28782.102-0.14910.12170.3583-0.17840.0470.1621-0.1063-0.12130.10210.06510.03570.00190.03660.01710.0319-24.1062-7.7956-32.7972
140.34360.4960.43430.95430.78060.6916-0.18690.21870.0444-0.32780.13240.1707-0.24380.12170.05450.256-0.0223-0.04930.34630.03360.1648-45.4105-36.7617-70.3999
150.27740.0697-0.23270.40390.05090.63530.00930.2519-0.0613-0.13690.04810.20360.04-0.0629-0.05740.3804-0.0114-0.06220.4159-0.0470.2885-56.281-57.0507-81.8099
161.73110.02720.34242.68090.8520.8956-0.00020.2718-0.1832-0.2744-0.03510.24270.0430.01660.03530.25890.0127-0.02460.36280.01170.0716-52.8657-53.1802-75.3348
174.6759-1.86934.14894.76911.25316.631-0.35650.16740.1372-0.38320.0370.0958-0.6072-0.00940.31940.1486-0.0595-0.0330.2350.08640.0858-39.4825-27.8523-67.9921
181.29071.74012.69052.83933.47655.67360.01930.0555-0.1465-0.19390.2967-0.22720.05160.0134-0.31610.1321-0.02970.05790.16650.03970.0654-35.1799-27.5753-52.6149
193.00853.44360.24124.05910.2660.2491-0.26430.16660.2555-0.17420.20570.2294-0.12580.16580.05860.2112-0.0353-0.07530.13310.05060.0914-13.6466-4.6745-30.7824
203.18153.35920.40867.29190.14672.12020.19590.2087-0.35910.16330.2003-0.18980.19750.0564-0.39610.0290.0165-0.05050.0147-0.02850.106-18.2149-25.1392-40.1046
212.09461.24642.63521.40991.26593.6442-0.22930.40320.2273-0.18880.16530.2396-0.22040.41110.0640.1201-0.0287-0.03630.18920.13340.2028-50.1732-43.3758-53.2575
223.98364.37151.21387.99782.73880.9883-0.07520.15030.27710.0907-0.02450.33980.0527-0.03810.09970.0152-0.00860.00060.02150.01240.0232-35.4902-29.7066-39.0059
232.17631.8222.26982.27211.14733.85230.1654-0.25230.02790.3906-0.3376-0.2461-0.09740.23280.17220.1176-0.0607-0.07230.2402-0.01650.1321-8.3362-6.0824-22.0888
245.94640.5892.5455.41561.64221.94680.0374-0.1860.0540.4710.3129-0.6672-0.03070.3245-0.35030.171-0.1035-0.01890.2798-0.09450.27021.8567-1.4277-16.3989
253.0857-1.4507-2.46523.66282.43072.5204-0.0051-0.26190.2125-0.13110.10920.0351-0.08980.2009-0.10410.12530.0236-0.07040.0269-0.03110.055929.6096-33.779-15.2816
264.38440.4857-0.03073.9921.43810.7749-0.0764-0.30450.4250.6134-0.28570.75950.1915-0.13010.36210.1053-0.02910.08980.0438-0.09150.21120.0134-39.0022-9.2741
270.9641.2372-0.21271.73190.22041.74710.0106-0.18440.1452-0.0135-0.2110.2484-0.12490.1180.20040.06260.0303-0.06240.066-0.05090.095924.3157-35.9009-12.2933
280.20210.290.24783.43591.57820.86150.05880.00710.18050.1531-0.0968-0.16380.03830.07770.03810.1858-0.0562-0.00240.234-0.0310.252535.8259-15.6915-2.106
293.32831.99651.05892.6141.78022.2730.09070.27330.49880.21580.0915-0.08670.15040.5808-0.18230.17520.0498-0.12270.3539-0.01870.343541.4776-4.39764.2086
302.76741.2096-2.47870.5357-1.09712.2508-0.2510.1632-0.1401-0.1020.0467-0.07640.1732-0.06290.20430.4828-0.0318-0.20770.4216-0.02120.291542.1537-3.8948-6.4871
313.8382-1.49041.66033.5167-0.81821.7860.01840.0567-0.09210.15240.11330.19360.1384-0.1865-0.13160.38560.01050.03320.48420.10830.167421.9249-44.205313.8571
320.8263-1.6885-0.86369.2072-0.39471.7234-0.1087-0.1078-0.09850.60110.05630.33510.03170.16610.05250.33440.0903-0.06750.1663-0.03120.043829.2507-45.2124.2581
330.74670.98750.46185.2751-0.91522.32510.1365-0.3883-0.15690.38920.009-0.31790.1129-0.1475-0.14550.32090.0214-0.06820.3767-0.0130.126129.7097-47.42039.6209
340.2780.476-0.65252.3912-0.41514.45830.1456-0.0587-0.05060.2755-0.28250.1149-0.0219-0.26270.13690.1684-0.0594-0.10250.1005-0.08770.311129.0365-2.007712.8766
352.2457-4.45811.83339.1698-2.28367.26110.00810.09230.1337-0.0551-0.2084-0.2526-0.1974-0.0470.20030.05030.0099-0.0570.0171-0.01260.086433.59146.636916.8595
361.19320.7391-0.39160.6580.57083.5047-0.24930.1002-0.1123-0.14110.0118-0.01180.1174-0.18170.23750.0646-0.01290.03780.0462-0.02790.0465-10.2735-20.1718-60.6615
372.69180.1916-1.36741.85450.10723.7485-0.12880.1722-0.09860.00950.0352-0.1065-0.33080.15080.09370.0671-0.03440.00180.0321-0.00040.0133-6.8769-13.3163-57.8665
381.5334-1.2134-1.45941.0421.30634.0240.38680.403-0.2824-0.4014-0.31620.0896-0.0741-0.1062-0.07060.40710.02570.01880.2665-0.05220.28871.2476-25.4158-87.5646
392.34271.9363-0.25324.85555.30349.3795-0.1818-0.1112-0.6976-0.25290.0368-0.5415-0.07970.1980.1450.3916-0.03430.00890.12050.0370.36215.9695-39.8037-86.6171
402.9343-2.6938-2.71727.06594.6153.6106-0.0433-0.2397-0.4321-0.6805-0.0023-0.1116-0.10440.23080.04550.50320.1144-0.09030.3274-0.02470.26416.7038-32.6677-90.8571
410.19420.4197-0.02711.5727-0.58620.42640.2754-0.0541-0.08980.33320.09540.40570.0365-0.1497-0.37080.53920.0323-0.12530.6342-0.06440.6881-6.1006-31.6876-90.0676
421.86081.4610.1211.3803-0.24482.80860.0688-0.03670.3634-0.0177-0.1280.1206-0.437-0.13380.05920.2795-0.00340.0380.24180.07470.305617.3185-11.2922-52.2016
433.32540.5861.02331.28672.22699.1195-0.0906-0.195-0.26370.07750.0716-0.0594-0.02460.31250.0190.0230.00610.01180.06720.03860.04678.3329-19.1718-51.1996
443.7158-0.44390.94511.4036-0.65293.0031-0.1402-0.24040.12460.12410.0341-0.3522-0.10790.08910.10610.1599-0.0227-0.00010.14010.04130.145212.1438-16.7821-50.2611
450.7-0.4212-0.96680.35010.6371.36850.1215-0.18140.0477-0.140.0727-0.2363-0.18110.2425-0.19420.57170.07510.03170.48620.01140.478114.9004-25.6754-90.9099
463.86940.38951.28690.6479-0.45692.0879-0.08220.0149-0.0251-0.09110.0605-0.3618-0.10240.58260.02170.6095-0.0140.08460.5054-0.09380.43415.6927-21.2954-85.8419
470.28630.1292-0.06350.7646-0.4440.2730.1994-0.407-0.14830.1733-0.2407-0.1631-0.18190.09380.04130.75850.01730.00770.8640.02520.633919.1467-19.5877-98.7219
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A8 - 37
2X-RAY DIFFRACTION2A38 - 107
3X-RAY DIFFRACTION3A108 - 194
4X-RAY DIFFRACTION4A195 - 268
5X-RAY DIFFRACTION5A269 - 301
6X-RAY DIFFRACTION6A302 - 317
7X-RAY DIFFRACTION7B1 - 36
8X-RAY DIFFRACTION8B37 - 60
9X-RAY DIFFRACTION9B61 - 84
10X-RAY DIFFRACTION10B85 - 109
11X-RAY DIFFRACTION11B110 - 162
12X-RAY DIFFRACTION12B163 - 177
13X-RAY DIFFRACTION13C9 - 37
14X-RAY DIFFRACTION14C38 - 109
15X-RAY DIFFRACTION15C110 - 218
16X-RAY DIFFRACTION16C219 - 270
17X-RAY DIFFRACTION17C271 - 286
18X-RAY DIFFRACTION18C287 - 317
19X-RAY DIFFRACTION19D1 - 38
20X-RAY DIFFRACTION20D39 - 60
21X-RAY DIFFRACTION21D61 - 84
22X-RAY DIFFRACTION22D85 - 107
23X-RAY DIFFRACTION23D108 - 151
24X-RAY DIFFRACTION24D152 - 173
25X-RAY DIFFRACTION25H1 - 30
26X-RAY DIFFRACTION26H31 - 69
27X-RAY DIFFRACTION27H70 - 98
28X-RAY DIFFRACTION28H99 - 171
29X-RAY DIFFRACTION29H173 - 209
30X-RAY DIFFRACTION30H211 - 227
31X-RAY DIFFRACTION31L3 - 31
32X-RAY DIFFRACTION32L32 - 52
33X-RAY DIFFRACTION33L53 - 93
34X-RAY DIFFRACTION34L150 - 199
35X-RAY DIFFRACTION35L204 - 213
36X-RAY DIFFRACTION36I1 - 38
37X-RAY DIFFRACTION37I39 - 104
38X-RAY DIFFRACTION38I105 - 152
39X-RAY DIFFRACTION39I154 - 173
40X-RAY DIFFRACTION40I175 - 211
41X-RAY DIFFRACTION41I213 - 223
42X-RAY DIFFRACTION42M3 - 31
43X-RAY DIFFRACTION43M32 - 52
44X-RAY DIFFRACTION44M53 - 103
45X-RAY DIFFRACTION45M106 - 144
46X-RAY DIFFRACTION46M145 - 181
47X-RAY DIFFRACTION47M182 - 210

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