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- PDB-5f9w: Crystal structure of broadly neutralizing VH1-46 germline-derived... -

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Basic information

Entry
Database: PDB / ID: 5f9w
TitleCrystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235 in complex with HIV-1 clade A/E 93TH057 gp120
Components
  • Heavy chain of CH235-lineage antibody CH235
  • Light chain of CH235-lineage antibody CH235
  • clade A/E 93TH057 HIV-1 gp120 core
KeywordsIMMUNE SYSTEM / HIV-1 / VH1-46 germline / neutralizing antibody / CH235
Function / homology
Function and homology information


HIV Envelope Protein Gp120; Chain G / Human immunodeficiency virus 1, Gp160, envelope glycoprotein / Gp120 core superfamily / Envelope glycoprotein GP120 / Human immunodeficiency virus 1, envelope glycoprotein Gp120 / Beta Complex / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
PHOSPHATE ION / clade A/E 93TH057 HIV-1 gp120 core
Similarity search - Component
Biological speciesHuman immunodeficiency virus 1
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.8911 Å
AuthorsChen, L. / Zhou, T. / Kwong, P.D.
Funding support United States, 3items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)P01-AI104722 United States
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)UM1 AI100645 United States
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)UM1 AI100663 United States
CitationJournal: Cell / Year: 2016
Title: Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody.
Authors: Mattia Bonsignori / Tongqing Zhou / Zizhang Sheng / Lei Chen / Feng Gao / M Gordon Joyce / Gabriel Ozorowski / Gwo-Yu Chuang / Chaim A Schramm / Kevin Wiehe / S Munir Alam / Todd Bradley / ...Authors: Mattia Bonsignori / Tongqing Zhou / Zizhang Sheng / Lei Chen / Feng Gao / M Gordon Joyce / Gabriel Ozorowski / Gwo-Yu Chuang / Chaim A Schramm / Kevin Wiehe / S Munir Alam / Todd Bradley / Morgan A Gladden / Kwan-Ki Hwang / Sheelah Iyengar / Amit Kumar / Xiaozhi Lu / Kan Luo / Michael C Mangiapani / Robert J Parks / Hongshuo Song / Priyamvada Acharya / Robert T Bailer / Allen Cao / Aliaksandr Druz / Ivelin S Georgiev / Young D Kwon / Mark K Louder / Baoshan Zhang / Anqi Zheng / Brenna J Hill / Rui Kong / Cinque Soto / / James C Mullikin / Daniel C Douek / David C Montefiori / Michael A Moody / George M Shaw / Beatrice H Hahn / Garnett Kelsoe / Peter T Hraber / Bette T Korber / Scott D Boyd / Andrew Z Fire / Thomas B Kepler / Lawrence Shapiro / Andrew B Ward / John R Mascola / Hua-Xin Liao / Peter D Kwong / Barton F Haynes /
Abstract: Antibodies with ontogenies from VH1-2 or VH1-46-germline genes dominate the broadly neutralizing response against the CD4-binding site (CD4bs) on HIV-1. Here, we define with longitudinal sampling ...Antibodies with ontogenies from VH1-2 or VH1-46-germline genes dominate the broadly neutralizing response against the CD4-binding site (CD4bs) on HIV-1. Here, we define with longitudinal sampling from time-of-infection the development of a VH1-46-derived antibody lineage that matured to neutralize 90% of HIV-1 isolates. Structures of lineage antibodies CH235 (week 41 from time-of-infection, 18% breadth), CH235.9 (week 152, 77%), and CH235.12 (week 323, 90%) demonstrated the maturing epitope to focus on the conformationally invariant portion of the CD4bs. Similarities between CH235 lineage and five unrelated CD4bs lineages in epitope focusing, length-of-time to develop breadth, and extraordinary level of somatic hypermutation suggested commonalities in maturation among all CD4bs antibodies. Fortunately, the required CH235-lineage hypermutation appeared substantially guided by the intrinsic mutability of the VH1-46 gene, which closely resembled VH1-2. We integrated our CH235-lineage findings with a second broadly neutralizing lineage and HIV-1 co-evolution to suggest a vaccination strategy for inducing both lineages.
History
DepositionDec 10, 2015Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 9, 2016Provider: repository / Type: Initial release
Revision 1.1Mar 23, 2016Group: Database references
Revision 1.2Apr 20, 2016Group: Database references
Revision 1.3Sep 6, 2017Group: Author supporting evidence / Derived calculations / Category: pdbx_audit_support / pdbx_struct_oper_list
Item: _pdbx_audit_support.funding_organization / _pdbx_struct_oper_list.symmetry_operation
Revision 1.4Nov 22, 2017Group: Database references / Category: pdbx_database_related
Revision 1.5Nov 6, 2019Group: Author supporting evidence / Data collection / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.6Dec 11, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.7Jul 29, 2020Group: Data collection / Derived calculations / Structure summary
Category: chem_comp / entity ...chem_comp / entity / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / struct_conn / struct_site / struct_site_gen
Item: _chem_comp.name / _chem_comp.type ..._chem_comp.name / _chem_comp.type / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _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_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 1.8Sep 27, 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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: clade A/E 93TH057 HIV-1 gp120 core
B: Heavy chain of CH235-lineage antibody CH235
C: Light chain of CH235-lineage antibody CH235
G: clade A/E 93TH057 HIV-1 gp120 core
H: Heavy chain of CH235-lineage antibody CH235
L: Light chain of CH235-lineage antibody CH235
hetero molecules


Theoretical massNumber of molelcules
Total (without water)179,97736
Polymers173,7196
Non-polymers6,25830
Water1,33374
1
A: clade A/E 93TH057 HIV-1 gp120 core
B: Heavy chain of CH235-lineage antibody CH235
C: Light chain of CH235-lineage antibody CH235
hetero molecules


Theoretical massNumber of molelcules
Total (without water)90,14619
Polymers86,8603
Non-polymers3,28716
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10160 Å2
ΔGint32 kcal/mol
Surface area35550 Å2
MethodPISA
2
G: clade A/E 93TH057 HIV-1 gp120 core
H: Heavy chain of CH235-lineage antibody CH235
L: Light chain of CH235-lineage antibody CH235
hetero molecules


Theoretical massNumber of molelcules
Total (without water)89,83017
Polymers86,8603
Non-polymers2,97114
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10110 Å2
ΔGint24 kcal/mol
Surface area34980 Å2
MethodPISA
Unit cell
Length a, b, c (Å)123.429, 123.429, 127.332
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number145
Space group name H-MP32

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Components

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Antibody , 2 types, 4 molecules BHCL

#2: Antibody Heavy chain of CH235-lineage antibody CH235


Mass: 24241.119 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#3: Antibody Light chain of CH235-lineage antibody CH235


Mass: 23407.068 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)

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Protein / Sugars , 2 types, 29 molecules AG

#1: Protein clade A/E 93TH057 HIV-1 gp120 core


Mass: 39211.434 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human immunodeficiency virus 1 / Gene: HIV-1 Env / Production host: Homo sapiens (human) / References: UniProt: A0A0M3KKW9
#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 / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 27
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

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Non-polymers , 2 types, 77 molecules

#5: Chemical ChemComp-PO4 / PHOSPHATE ION / Phosphate


Mass: 94.971 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: PO4
#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 74 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

CrystalDensity Matthews: 3.24 Å3/Da / Density % sol: 61.98 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.5
Details: 25% (w/v) of PEG2000, 0.2 M of Li2SO4, 0.1 M of Tris-HCl pH 8.5 and 5% (v/v) of isopropanol

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-D / Wavelength: 1 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Apr 25, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.89→40.935 Å / Num. all: 48360 / Num. obs: 48335 / % possible obs: 98.5 % / Redundancy: 2.6 % / Rmerge(I) obs: 0.17 / Rsym value: 0.12 / Net I/av σ(I): 8.1 / Net I/σ(I): 8.1
Reflection shellResolution: 2.89→3 Å / Redundancy: 2 % / Rmerge(I) obs: 0.65 / Mean I/σ(I) obs: 1.9 / % possible all: 99.2

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Processing

Software
NameVersionClassification
PHENIXdev_1965refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4RWY

4rwy


Resolution: 2.8911→40.935 Å / SU ML: 0.43 / Cross valid method: FREE R-VALUE / σ(F): 2 / Phase error: 26.05 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2319 2440 5.05 %
Rwork0.18 --
obs0.1825 48335 99.68 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.8911→40.935 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11932 0 393 74 12399
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00212637
X-RAY DIFFRACTIONf_angle_d0.63817237
X-RAY DIFFRACTIONf_dihedral_angle_d11.2684639
X-RAY DIFFRACTIONf_chiral_restr0.0362004
X-RAY DIFFRACTIONf_plane_restr0.0032188
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.8911-2.95010.35031510.31312567X-RAY DIFFRACTION96
2.9501-3.01420.31481350.28612704X-RAY DIFFRACTION100
3.0142-3.08430.31681600.26692711X-RAY DIFFRACTION100
3.0843-3.16140.28041460.24632717X-RAY DIFFRACTION100
3.1614-3.24680.35791320.24222687X-RAY DIFFRACTION100
3.2468-3.34230.25431330.22512728X-RAY DIFFRACTION100
3.3423-3.45010.28381640.2312708X-RAY DIFFRACTION100
3.4501-3.57340.24421260.21472670X-RAY DIFFRACTION100
3.5734-3.71640.29291540.20962750X-RAY DIFFRACTION100
3.7164-3.88540.23771400.19572711X-RAY DIFFRACTION100
3.8854-4.09010.22891440.17092709X-RAY DIFFRACTION100
4.0901-4.3460.21791370.16352701X-RAY DIFFRACTION100
4.346-4.68120.18241530.14092718X-RAY DIFFRACTION100
4.6812-5.15140.16661450.13362700X-RAY DIFFRACTION100
5.1514-5.8950.21711610.15522707X-RAY DIFFRACTION100
5.895-7.41980.22841420.1752702X-RAY DIFFRACTION100
7.4198-40.93870.21911170.16082705X-RAY DIFFRACTION99
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)
12.3741-0.2823-1.27740.07920.16345.2685-0.35220.1691-0.99630.39250.0668-0.01341.4072-0.01890.34541.4810.00750.19570.56990.03160.967143.1338-61.5615-38.9467
21.6680.33690.08094.95913.23713.44740.03350.0715-0.05510.2716-0.21870.36390.7507-0.54780.24290.9955-0.19720.23770.70330.02260.7411131.723-51.4051-47.2084
35.2402-0.01982.87130.69081.39315.98420.0566-0.2027-0.5420.47480.0135-0.10540.95580.1093-0.14951.2226-0.04470.18050.48530.00310.8316145.3278-54.7456-32.507
49.70120.863.9642.86073.32715.9465-0.01360.9188-0.5246-0.32720.0752-0.01530.32640.0988-0.06611.0384-0.03960.26410.39770.12260.6527138.4048-47.8142-43.4942
57.5965-3.4635-5.4532.92885.33999.7398-0.26860.4592-0.31930.2993-0.21250.3160.5394-0.61750.51820.8016-0.06180.03340.35680.0450.5853140.5776-36.2742-39.2917
66.0433-4.72440.61847.32560.23614.15330.05190.27610.3711-0.13980.0619-0.83630.21310.6586-0.10410.6579-0.00580.10350.5491-0.00070.6528155.0846-34.3364-37.2717
77.1744-4.278-2.57126.2298-0.40914.3751-0.3432-0.18650.5982-0.15660.5121-1.45630.47771.11520.00220.63720.0001-0.05120.8469-0.25620.7634161.3248-35.5233-33.593
81.5251-1.34771.45946.24124.52368.20960.2184-1.4913-0.04460.5267-0.0219-0.66263.15971.3090.20951.73380.4294-0.07170.87530.00970.8163159.7569-51.9839-24.2884
97.4979-1.9620.28061.44461.24534.6756-0.5232-0.68170.05790.10730.37830.4225-0.26090.10630.16550.84110.00190.17890.52390.10810.5187148.7398-30.6125-33.9082
104.25582.7884.78393.30683.00684.7119-0.6277-0.32050.6924-0.03320.27090.35470.1341-0.41060.32730.94970.01920.09010.48560.07480.7155137.2637-47.2974-37.431
113.11721.17373.57356.73744.29666.64030.1253-1.3475-0.3580.5530.0643-0.83180.91120.5547-0.2310.77560.20670.03391.0074-0.00260.6713141.3939-29.3688-1.1403
125.8269-0.97652.21054.1621-1.95675.03510.2573-0.4979-0.4102-0.318-0.2165-0.08191.2362-0.0167-0.09140.80710.10390.18630.5281-0.0510.5618138.7107-34.6565-10.887
133.1627-7.1714-3.07087.51544.67094.56290.0054-0.20880.2646-0.2642-0.1572-0.3881-0.21780.17520.02160.79350.12890.04480.6795-0.1180.9716141.855-26.4445-16.541
143.89263.7993-0.11463.8276-0.61915.4874-0.1506-1.3596-0.1342-0.21320.35440.08260.47550.8375-0.21510.70370.32530.08540.9113-0.0560.7844147.6478-29.8195-9.328
153.4258-0.5021.06420.8441-1.71857.7383-0.2511-0.45240.04330.61630.32980.04291.3385-0.1689-0.10860.67650.15110.12950.4826-0.04840.6252134.3865-29.8769-11.7471
164.72-3.7155-5.71556.79985.96595.9397-0.2042-0.19390.22921.08770.6251-0.7645-0.62380.9351-0.54831.08250.3348-0.25111.294-0.13350.8593134.1745-12.316617.1743
175.8774.4622-5.0788.8335-0.87875.576-0.4899-0.7428-0.48690.76560.9371-0.92050.83230.5647-0.52630.72910.2737-0.15251.0781-0.1310.6077127.6093-14.632416.6664
189.04483.8225-8.0477.9710.78289.7-0.4392-0.5031-0.9730.72020.1861-0.29190.45530.7390.26310.70880.3567-0.09160.8770.03370.6371124.2679-16.175915.9166
198.5195-3.7402-4.50767.74932.58832.7121-0.763-0.773-0.49061.7970.76490.09841.64280.77910.06551.30670.4051-0.01551.27870.090.6475126.4974-18.743525.6521
203.36510.934-4.50727.8638-2.94155.7522-0.1171-0.05140.7006-0.2852-0.20560.70650.0858-1.15230.13830.6167-0.0471-0.10840.8686-0.2070.5688115.5742-17.9152-13.307
217.6861-1.742-3.43967.6982-2.81517.37630.2147-0.08340.5747-0.4586-0.41610.0393-0.6147-0.34290.2890.6761-0.01010.02620.5069-0.19620.604121.5592-22.9586-20.2031
224.58490.06225.90044.85912.69499.2025-0.1322-1.2439-0.7754-0.0057-0.15490.46630.6139-1.470.29920.7755-0.11680.15490.7532-0.02420.7242119.0496-32.6035-12.343
236.20485.5937-1.87536.3176-3.75694.3472-0.91071.9162-0.2284-1.09740.58840.4913-0.2654-4.12910.51130.821-0.08750.140.9857-0.21960.849114.544-24.7103-21.1562
244.8208-3.5606-2.81025.66935.03916.7444-0.1721-0.4476-0.13430.2169-0.32660.31740.2312-0.57620.29240.49060.05390.0010.6112-0.01620.4755118.3822-22.1133-10.052
253.40933.5035.3117.42213.88432.20770.3812-1.31330.00911.75740.37-0.59880.94440.0063-0.72651.10330.2686-0.0391.3079-0.14040.5648125.0487-4.490222.3315
263.90365.45772.37328.83814.56676.67350.0150.5541-0.5123-0.20530.6081-0.7130.08620.4765-0.75870.43260.15210.03380.9468-0.10160.5804118.9567-4.29869.8196
277.9298-1.33043.46143.12164.05258.38850.41970.9971.0084-0.7296-0.313-0.4858-0.080.0752-0.03360.81630.08910.12251.21530.18110.9301125.87334.110210.24
286.51665.81055.64225.3084.57236.4288-0.594-0.3731-3.054-0.32760.2489-0.96950.5828-0.12240.26360.64620.13550.09481.0089-0.04821.0915113.7436-17.86566.002
292.76652.5264-2.60169.8743.057.69620.3435-0.1627-0.27690.64580.9659-1.7737-0.6081.9789-1.96410.55350.1607-0.06421.1614-0.26920.911129.21770.344916.9146
303.15413.87292.22074.96393.62623.0155-0.23270.53951.0284-0.01580.19520.3781-0.31990.48950.05810.63080.1080.06020.9092-0.08950.7682116.94743.947214.8353
311.4127-4.1577-1.31228.95551.61364.5486-0.56380.6869-0.29660.74360.17271.01420.6831-1.2920.32270.8022-0.44590.09021.4067-0.15610.9643121.6453-49.475452.6761
328.30782.5972-4.2554.0233-3.49836.3468-0.4299-0.0763-0.7413-0.0591-0.15150.10631.2726-0.6790.62570.9354-0.31780.15240.7646-0.2990.8375138.512-54.453261.2229
331.8711-1.32620.23334.0864-2.72024.7764-0.17890.1761-0.1459-0.11640.17770.59860.4217-0.8991-0.06840.7074-0.29790.10190.957-0.2370.8663128.9064-45.163247.9112
345.1451-1.0468-1.7242.526-0.43671.438-0.0260.11920.06690.3113-0.0460.2571-0.0161-0.47130.08960.5109-0.0983-0.01430.7678-0.14810.516136.5206-33.788552.4446
359.584-4.0766-2.18468.8332.39517.091-0.0991-1.25441.55310.96510.3994-0.8464-0.52820.1685-0.26220.7018-0.18060.06790.6446-0.14270.6919143.4648-24.319356.2857
366.0171-0.05640.85291.4954-2.84637.956-0.06211.56130.53660.04690.0715-0.1308-0.24270.22120.02460.5559-0.0310.03560.6025-0.22890.714143.1895-27.664744.046
379.66463.74273.26894.60833.30897.29070.61470.37151.04440.6544-0.2810.23090.0202-0.373-0.0870.80990.14730.28910.68920.03570.9255138.6557-20.059249.6734
387.1411.77914.71852.7545-0.1818.59480.22520.3090.55950.8786-0.38060.5197-0.3356-1.84340.0840.80080.0710.12251.07750.12110.6833128.9235-26.71240.1828
391.49371.2159-0.91783.1916-0.33013.55270.30010.5817-0.27090.025-0.279-0.0215-0.0537-0.5627-0.04110.4968-0.05820.03230.9053-0.13880.5707137.7349-35.178947.0587
402.7648-0.3562-1.4122.0206-1.20467.1520.30090.34440.2813-0.2415-0.30810.218-0.031-0.92540.00850.4280.05690.07860.7993-0.08020.6369151.4715-35.345822.7187
415.41241.7284-2.3656.42951.41625.56280.13391.44090.0065-0.566-0.08650.5555-0.3126-1.1318-0.0840.66370.2147-0.02071.20040.06740.5511169.9626-41.6092-6.596
427.2699-4.382-0.98448.89572.64226.7426-0.072-0.48140.0202-0.4149-0.148-0.6180.72220.90250.17750.6432-0.04320.12060.62520.11550.537169.4944-49.948730.5036
436.6952-2.1968-2.18515.361-0.53575.6331-0.04340.3186-0.83130.0883-0.47240.37841.32740.31790.50360.7446-0.0570.13520.6335-0.04920.6918162.5746-55.640629.0067
448.3524-5.5678-7.34866.42443.73628.41630.05910.21310.1589-0.3694-0.2408-0.23290.69930.17370.15990.53280.02480.04440.619-0.03380.504168.5128-51.056623.5263
456.35131.5264-2.87396.8305-2.34055.0097-0.06610.19240.35490.25280.44380.0541-0.4657-0.3576-0.38130.63610.21780.06040.6758-0.04290.4806184.4596-38.794-0.0748
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 45 through 73 )
2X-RAY DIFFRACTION2chain 'A' and (resid 74 through 98 )
3X-RAY DIFFRACTION3chain 'A' and (resid 99 through 235 )
4X-RAY DIFFRACTION4chain 'A' and (resid 236 through 258 )
5X-RAY DIFFRACTION5chain 'A' and (resid 259 through 283 )
6X-RAY DIFFRACTION6chain 'A' and (resid 284 through 378 )
7X-RAY DIFFRACTION7chain 'A' and (resid 379 through 425 )
8X-RAY DIFFRACTION8chain 'A' and (resid 426 through 442 )
9X-RAY DIFFRACTION9chain 'A' and (resid 443 through 470 )
10X-RAY DIFFRACTION10chain 'A' and (resid 471 through 491 )
11X-RAY DIFFRACTION11chain 'B' and (resid 1 through 17 )
12X-RAY DIFFRACTION12chain 'B' and (resid 18 through 40 )
13X-RAY DIFFRACTION13chain 'B' and (resid 41 through 64 )
14X-RAY DIFFRACTION14chain 'B' and (resid 65 through 83 )
15X-RAY DIFFRACTION15chain 'B' and (resid 84 through 109 )
16X-RAY DIFFRACTION16chain 'B' and (resid 110 through 128 )
17X-RAY DIFFRACTION17chain 'B' and (resid 132 through 152 )
18X-RAY DIFFRACTION18chain 'B' and (resid 153 through 186 )
19X-RAY DIFFRACTION19chain 'B' and (resid 187 through 223 )
20X-RAY DIFFRACTION20chain 'C' and (resid 1 through 18 )
21X-RAY DIFFRACTION21chain 'C' and (resid 19 through 38 )
22X-RAY DIFFRACTION22chain 'C' and (resid 39 through 61 )
23X-RAY DIFFRACTION23chain 'C' and (resid 62 through 75 )
24X-RAY DIFFRACTION24chain 'C' and (resid 76 through 112 )
25X-RAY DIFFRACTION25chain 'C' and (resid 113 through 127 )
26X-RAY DIFFRACTION26chain 'C' and (resid 128 through 149 )
27X-RAY DIFFRACTION27chain 'C' and (resid 150 through 162 )
28X-RAY DIFFRACTION28chain 'C' and (resid 163 through 173 )
29X-RAY DIFFRACTION29chain 'C' and (resid 174 through 187 )
30X-RAY DIFFRACTION30chain 'C' and (resid 188 through 211 )
31X-RAY DIFFRACTION31chain 'G' and (resid 45 through 76 )
32X-RAY DIFFRACTION32chain 'G' and (resid 77 through 98 )
33X-RAY DIFFRACTION33chain 'G' and (resid 99 through 245 )
34X-RAY DIFFRACTION34chain 'G' and (resid 246 through 327 )
35X-RAY DIFFRACTION35chain 'G' and (resid 328 through 352 )
36X-RAY DIFFRACTION36chain 'G' and (resid 353 through 378 )
37X-RAY DIFFRACTION37chain 'G' and (resid 379 through 412 )
38X-RAY DIFFRACTION38chain 'G' and (resid 413 through 430 )
39X-RAY DIFFRACTION39chain 'G' and (resid 431 through 491 )
40X-RAY DIFFRACTION40chain 'H' and (resid 1 through 120 )
41X-RAY DIFFRACTION41chain 'H' and (resid 121 through 223 )
42X-RAY DIFFRACTION42chain 'L' and (resid 1 through 38 )
43X-RAY DIFFRACTION43chain 'L' and (resid 39 through 75 )
44X-RAY DIFFRACTION44chain 'L' and (resid 76 through 112 )
45X-RAY DIFFRACTION45chain 'L' and (resid 113 through 211)

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