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Basic information

Entry
Database: PDB / ID: 6tyb
TitleIsolation and Structure of an Antibody that Fully Neutralizes Isolate SIVmac239 Reveals Functional Similarity of SIV and HIV Glycan Shields
Components
  • (NEUTRALIZING ANTIBODY ITS90.03 FAB ...) x 2
  • Envelope glycoprotein gp160
  • T-cell surface glycoprotein CD4
KeywordsIMMUNE SYSTEM / bNABs / gp120 / fab / glycan
Function / homology
Function and homology information


helper T cell enhancement of adaptive immune response / interleukin-16 binding / interleukin-16 receptor activity / maintenance of protein location in cell / T cell selection / MHC class II protein binding / membrane fusion involved in viral entry into host cell / interleukin-15-mediated signaling pathway / cellular response to granulocyte macrophage colony-stimulating factor stimulus / positive regulation of monocyte differentiation ...helper T cell enhancement of adaptive immune response / interleukin-16 binding / interleukin-16 receptor activity / maintenance of protein location in cell / T cell selection / MHC class II protein binding / membrane fusion involved in viral entry into host cell / interleukin-15-mediated signaling pathway / cellular response to granulocyte macrophage colony-stimulating factor stimulus / positive regulation of monocyte differentiation / positive regulation of peptidyl-tyrosine phosphorylation / regulation of calcium ion transport / macrophage differentiation / T cell differentiation / coreceptor activity / positive regulation of calcium-mediated signaling / protein tyrosine kinase binding / T cell activation / host cell endosome membrane / calcium-mediated signaling / positive regulation of T cell activation / MHC class II protein complex binding / defense response to Gram-negative bacterium / adaptive immune response / positive regulation of viral entry into host cell / positive regulation of ERK1 and ERK2 cascade / positive regulation of canonical NF-kappaB signal transduction / cell adhesion / membrane raft / endoplasmic reticulum lumen / external side of plasma membrane / viral envelope / symbiont entry into host cell / endoplasmic reticulum membrane / positive regulation of DNA-templated transcription / virion attachment to host cell / host cell plasma membrane / virion membrane / structural molecule activity / protein homodimerization activity / zinc ion binding / membrane
Similarity search - Function
CD4, extracellular / T cell CD4 receptor C-terminal region / CD4, extracellular / T cell CD4 receptor C terminal region / T-cell surface antigen CD4 / Immunoglobulin C2-set / Immunoglobulin C2-set domain / HIV Envelope Protein Gp120; Chain G / Human immunodeficiency virus 1, Gp160, envelope glycoprotein / Immunoglobulin ...CD4, extracellular / T cell CD4 receptor C-terminal region / CD4, extracellular / T cell CD4 receptor C terminal region / T-cell surface antigen CD4 / Immunoglobulin C2-set / Immunoglobulin C2-set domain / HIV Envelope Protein Gp120; Chain G / Human immunodeficiency virus 1, Gp160, envelope glycoprotein / Immunoglobulin / Immunoglobulin domain / Retroviral envelope protein / Retroviral envelope protein GP41-like / Gp120 core superfamily / Envelope glycoprotein GP120 / Human immunodeficiency virus 1, envelope glycoprotein Gp120 / Beta Complex / Immunoglobulin subtype 2 / Immunoglobulin C-2 Type / Immunoglobulin V-Type / Immunoglobulin V-set domain / Immunoglobulin subtype / Immunoglobulin / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
Envelope glycoprotein gp160 / T-cell surface glycoprotein CD4 / T-cell surface glycoprotein CD4
Similarity search - Component
Biological speciesSimian immunodeficiency virus
Macaca mulatta (Rhesus monkey)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.301 Å
AuthorsGorman, J. / Kwong, P.D.
CitationJournal: Immunity / Year: 2019
Title: Isolation and Structure of an Antibody that Fully Neutralizes Isolate SIVmac239 Reveals Functional Similarity of SIV and HIV Glycan Shields.
Authors: Gorman, J. / Mason, R.D. / Nettey, L. / Cavett, N. / Chuang, G.Y. / Peng, D. / Tsybovsky, Y. / Verardi, R. / Nguyen, R. / Ambrozak, D. / Biris, K. / LaBranche, C.C. / Ramesh, A. / Schramm, C. ...Authors: Gorman, J. / Mason, R.D. / Nettey, L. / Cavett, N. / Chuang, G.Y. / Peng, D. / Tsybovsky, Y. / Verardi, R. / Nguyen, R. / Ambrozak, D. / Biris, K. / LaBranche, C.C. / Ramesh, A. / Schramm, C.A. / Zhou, J. / Bailer, R.T. / Kepler, T.B. / Montefiori, D.C. / Shapiro, L. / Douek, D.C. / Mascola, J.R. / Roederer, M. / Kwong, P.D.
History
DepositionAug 8, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 2, 2019Provider: repository / Type: Initial release
Revision 1.1Oct 23, 2019Group: Data collection / Database references / Category: citation / citation_author / Item: _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2Oct 30, 2019Group: Data collection / Database references / Category: citation / Item: _citation.journal_volume / _citation.page_first
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_validate_close_contact / 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.type_symbol / _chem_comp.name / _chem_comp.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_validate_close_contact.auth_asym_id_1 / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_seq_id_1 / _pdbx_validate_close_contact.auth_seq_id_2 / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Oct 11, 2023Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 2.2Oct 9, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
G: Envelope glycoprotein gp160
C: T-cell surface glycoprotein CD4
H: NEUTRALIZING ANTIBODY ITS90.03 FAB HEAVY CHAIN
L: NEUTRALIZING ANTIBODY ITS90.03 FAB LIGHT CHAIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)120,50915
Polymers111,0594
Non-polymers9,45111
Water7,152397
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area20280 Å2
ΔGint165 kcal/mol
Surface area46410 Å2
Unit cell
Length a, b, c (Å)197.143, 197.143, 178.531
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number179
Space group name H-MP6522

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Components

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Protein , 2 types, 2 molecules GC

#1: Protein Envelope glycoprotein gp160


Mass: 41117.316 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Simian immunodeficiency virus / Gene: env / Production host: Homo sapiens (human) / Strain (production host): GNTI- / References: UniProt: E7CWP5
#2: Protein T-cell surface glycoprotein CD4


Mass: 20582.336 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Macaca mulatta (Rhesus monkey) / Gene: CD4 / Production host: Homo sapiens (human) / Strain (production host): GNTI- / References: UniProt: F6XGD3, UniProt: P16003*PLUS

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Antibody , 2 types, 2 molecules HL

#3: Antibody NEUTRALIZING ANTIBODY ITS90.03 FAB HEAVY CHAIN


Mass: 25868.756 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Macaca mulatta (Rhesus monkey) / Production host: Homo sapiens (human)
#4: Antibody NEUTRALIZING ANTIBODY ITS90.03 FAB LIGHT CHAIN


Mass: 23490.102 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Macaca mulatta (Rhesus monkey) / Production host: Homo sapiens (human)

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Sugars , 7 types, 11 molecules

#5: Polysaccharide alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D- ...alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1235.105 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3[DManpa1-6]DManpa1-6[DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,7,6/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3-3/a4-b1_b4-c1_c3-d1_c6-e1_e3-f1_e6-g1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{}}}}}}LINUCSPDB-CARE
#6: 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.: 1 / Source method: isolated from a natural 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
#7: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 586.542 Da / Num. of mol.: 1 / Source method: isolated from a natural source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2/a4-b1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}}LINUCSPDB-CARE
#8: Polysaccharide alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D- ...alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1235.105 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-2DManpa1-3[DManpa1-3DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,7,6/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3-3/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1_f3-g1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][a-D-Manp]{}}[(6+1)][a-D-Manp]{[(3+1)][a-D-Manp]{}}}}}}LINUCSPDB-CARE
#9: Polysaccharide alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D- ...alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1072.964 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-2DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,6,5/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][a-D-Manp]{}}[(6+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#10: Polysaccharide alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2- ...alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 910.823 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3/a4-b1_b4-c1_c3-d1_c6-e1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#11: 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: isolated from a natural 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

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Non-polymers , 1 types, 397 molecules

#12: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 397 / Source method: isolated from a natural source / Formula: H2O

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Details

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: 4.51 Å3/Da / Density % sol: 72.72 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5
Details: 6% PEG 8000, 17% isopropanol, 0.1M imidazole pH 6.5. Crystals were flash frozen in liquid nitrogen with 20 % (v/v) ethylene glycol as a cryoprotectant.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Mar 12, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.3→40 Å / Num. obs: 84058 / % possible obs: 92.7 % / Redundancy: 8.8 % / Rmerge(I) obs: 0.105 / Rpim(I) all: 0.034 / Rrim(I) all: 0.111 / Χ2: 0.966 / Net I/σ(I): 10.7
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) allΧ2% possible all
2.3-2.341.50.70820280.4640.5730.9170.81945.3
2.34-2.381.90.82426670.4930.5751.0140.90259.9
2.38-2.432.30.81433010.4480.5280.9820.89573.7
2.43-2.482.90.88837440.4390.5191.0410.89784.1
2.48-2.533.80.87941280.5830.450.9980.88891.9
2.53-2.595.10.85843820.6590.3860.9480.8997.9
2.59-2.666.90.86444520.7590.3370.9320.91899.8
2.66-2.739.10.84744720.840.2910.8970.91100
2.73-2.8110.60.65845030.9230.210.6920.914100
2.81-2.911.20.52745130.9510.1640.5520.917100
2.9-311.30.38744780.9670.120.4060.941100
3-3.1211.30.28145080.9820.0870.2950.943100
3.12-3.2611.20.19445170.990.060.2030.951100
3.26-3.4411.20.13945330.9930.0430.1460.956100
3.44-3.6511.20.10145420.9960.0310.1060.963100
3.65-3.9311.20.0845520.9970.0250.0841.01100
3.93-4.3311.10.06845730.9970.0210.0711.072100
4.33-4.9511.10.0646120.9980.0190.0631.082100
4.95-6.2410.90.05646630.9980.0170.0591.01100
6.24-4010.20.05348900.9980.0170.0550.97899.4

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Processing

Software
NameVersionClassification
HKL-2000data scaling
PHENIXdev_3584refinement
PDB_EXTRACT3.25data extraction
HKL-2000data reduction
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5CAY

5cay


Resolution: 2.301→35.867 Å / SU ML: 0.22 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 22.53
RfactorNum. reflection% reflection
Rfree0.2097 6541 5 %
Rwork0.1781 --
obs0.1796 76207 75.91 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 154.65 Å2 / Biso mean: 51.3624 Å2 / Biso min: 8.98 Å2
Refinement stepCycle: final / Resolution: 2.301→35.867 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7482 0 632 397 8511
Biso mean--91.34 42.87 -
Num. residues----954
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
2.3011-2.32730.4369220.38464258
2.3273-2.35460.3753360.325267312
2.3546-2.38330.3335450.315486716
2.3833-2.41350.3721640.2984112721
2.4135-2.44530.3272750.2865141626
2.4453-2.47870.3235920.284174632
2.4787-2.51410.29011080.2695220340
2.5141-2.55170.28141450.2512261048
2.5517-2.59150.30141730.2551310257
2.5915-2.6340.27661950.2416365067
2.634-2.67940.24752140.2424414276
2.6794-2.72810.27422480.233463285
2.7281-2.78060.26662690.2288506493
2.7806-2.83730.27882820.2322532698
2.8373-2.8990.25772880.22195475100
2.899-2.96640.24022890.2165443100
2.9664-3.04050.23982860.20255425100
3.0405-3.12270.26052900.19535459100
3.1227-3.21450.21292910.18925442100
3.2145-3.31820.20512900.18325443100
3.3182-3.43670.20682890.18245455100
3.4367-3.57420.2262840.17465450100
3.5742-3.73670.18022740.16045474100
3.7367-3.93350.19282930.15065444100
3.9335-4.17960.15642810.1385448100
4.1796-4.50170.14782850.12645449100
4.5017-4.95370.15242850.11975447100
4.9537-5.66810.17592880.14555466100
5.6681-7.13190.20492830.17715461100
7.1319-35.8670.21322770.1843542099
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)
18.91214.2578-2.11517.6404-0.39964.412-0.26720.1188-0.0236-0.65220.3287-0.54180.1505-0.0121-0.02530.36990.1381-0.09870.3260.01250.471818.826333.8924.7552
21.0258-0.09120.37841.2711-0.0281.7945-0.1171-0.0976-0.10040.15480.1936-0.1920.27420.176-0.06310.1530.0701-0.00370.1816-0.01690.225711.284240.1497-1.0106
32.0508-0.01050.22452.91340.19981.8339-0.05470.1868-0.1363-0.24740.03870.29660.0325-0.38680.02010.0789-0.0244-0.00440.217-0.00150.1583-5.120945.9039-15.0883
41.3682-0.44770.07771.6641-0.05912.3372-0.06290.0895-0.1742-0.05390.1198-0.0750.1180.0223-0.04240.07480.00410.02750.1169-0.0350.19186.043342.8214-12.5019
52.81211.3848-2.09595.2014-2.85443.4821-0.0451-0.12540.2436-0.25680.0206-0.3271-0.57210.4657-0.00130.3915-0.17280.04290.28090.00130.357715.268361.4061-23.7474
61.9646-0.1534-0.22461.6103-2.3073.4061-0.04590.53380.0696-1.26580.0256-0.34530.4120.20330.08171.5456-0.34750.20.53510.00550.580322.7678.1196-48.5157
71.3884-1.1447-1.1752.35581.92223.2788-0.1394-0.20570.05120.29380.0813-0.0264-0.06430.11330.05320.34970.1375-0.06170.2495-0.05980.2018-0.656472.006223.5706
83.1409-0.49630.67512.69950.18851.9648-0.1567-0.3123-0.17380.51380.09790.7237-0.0982-0.46480.06360.66960.25350.11730.5064-0.06440.4448-27.792592.290438.2178
91.0825-0.8306-0.15350.90910.48640.9251-0.04150.03730.2137-0.2946-0.28390.2934-0.6582-0.4963-0.18460.55720.3434-0.12190.4175-0.20.3513-14.316777.84577.107
102.4722-0.5012-0.07173.59211.77543.23230.12840.14580.17620.1386-0.1385-0.1043-0.3275-0.1117-0.07520.82970.39390.00910.5573-0.12950.4387-25.5586104.605328.1701
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'G' and (resid 44 through 79 )G44 - 79
2X-RAY DIFFRACTION2chain 'G' and (resid 80 through 270 )G80 - 270
3X-RAY DIFFRACTION3chain 'G' and (resid 271 through 414 )G271 - 414
4X-RAY DIFFRACTION4chain 'G' and (resid 415 through 492 )G415 - 492
5X-RAY DIFFRACTION5chain 'C' and (resid 1 through 97 )C1 - 97
6X-RAY DIFFRACTION6chain 'C' and (resid 98 through 176 )C98 - 176
7X-RAY DIFFRACTION7chain 'H' and (resid 1 through 113 )H1 - 113
8X-RAY DIFFRACTION8chain 'H' and (resid 114 through 214 )H114 - 214
9X-RAY DIFFRACTION9chain 'L' and (resid 1 through 113 )L1 - 113
10X-RAY DIFFRACTION10chain 'L' and (resid 114 through 213 )L114 - 213

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