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- PDB-5lgk: Crystal structure of the human IgE-Fc bound to its B cell recepto... -

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Basic information

Entry
Database: PDB / ID: 5lgk
TitleCrystal structure of the human IgE-Fc bound to its B cell receptor derCD23
Components
  • Ig epsilon chain C region
  • Low affinity immunoglobulin epsilon Fc receptor
KeywordsIMMUNE SYSTEM / IMMUNOGLOBULIN FOLD LECTIN / ANTIBODY RECEPTOR
Function / homology
Function and homology information


low-affinity IgE receptor activity / adaptive immune memory response / primary adaptive immune response / IgE B cell receptor complex / B cell antigen processing and presentation / type I hypersensitivity / Fc receptor-mediated immune complex endocytosis / positive regulation of humoral immune response mediated by circulating immunoglobulin / NOTCH2 intracellular domain regulates transcription / eosinophil degranulation ...low-affinity IgE receptor activity / adaptive immune memory response / primary adaptive immune response / IgE B cell receptor complex / B cell antigen processing and presentation / type I hypersensitivity / Fc receptor-mediated immune complex endocytosis / positive regulation of humoral immune response mediated by circulating immunoglobulin / NOTCH2 intracellular domain regulates transcription / eosinophil degranulation / IgE immunoglobulin complex / macrophage activation / IgE binding / positive regulation of killing of cells of another organism / type 2 immune response / Fc epsilon receptor (FCERI) signaling / antibody-dependent cellular cytotoxicity / mast cell degranulation / immunoglobulin complex, circulating / immunoglobulin receptor binding / B cell proliferation / : / Interleukin-10 signaling / macrophage differentiation / Role of LAT2/NTAL/LAB on calcium mobilization / complement activation, classical pathway / antigen binding / FCERI mediated Ca+2 mobilization / positive regulation of nitric-oxide synthase activity / FCERI mediated MAPK activation / B cell receptor signaling pathway / FCERI mediated NF-kB activation / integrin binding / antibacterial humoral response / carbohydrate binding / protease binding / Interleukin-4 and Interleukin-13 signaling / adaptive immune response / inflammatory response / immune response / external side of plasma membrane / extracellular space / extracellular exosome / extracellular region / metal ion binding / plasma membrane
Similarity search - Function
CD209-like, C-type lectin-like domain / : / C-type lectin, conserved site / C-type lectin domain signature. / Mannose-Binding Protein A; Chain A / Mannose-Binding Protein A, subunit A / Lectin C-type domain / C-type lectin domain profile. / C-type lectin-like / C-type lectin (CTL) or carbohydrate-recognition domain (CRD) ...CD209-like, C-type lectin-like domain / : / C-type lectin, conserved site / C-type lectin domain signature. / Mannose-Binding Protein A; Chain A / Mannose-Binding Protein A, subunit A / Lectin C-type domain / C-type lectin domain profile. / C-type lectin-like / C-type lectin (CTL) or carbohydrate-recognition domain (CRD) / C-type lectin-like/link domain superfamily / C-type lectin fold / : / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulins / Roll / Immunoglobulin-like fold / Immunoglobulin-like / Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Immunoglobulin heavy constant epsilon / Low affinity immunoglobulin epsilon Fc receptor
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 3.5 Å
AuthorsDhaliwal, B. / Pang, M.O.Y. / Sutton, B.J.
Funding support United Kingdom, 3items
OrganizationGrant numberCountry
Medical Research Council (United Kingdom) United Kingdom
Wellcome Trust United Kingdom
Asthma UK United Kingdom
CitationJournal: Sci Rep / Year: 2017
Title: IgE binds asymmetrically to its B cell receptor CD23.
Authors: Dhaliwal, B. / Pang, M.O. / Keeble, A.H. / James, L.K. / Gould, H.J. / McDonnell, J.M. / Sutton, B.J. / Beavil, A.J.
History
DepositionJul 7, 2016Deposition site: PDBE / Processing site: PDBE
Revision 1.0Apr 5, 2017Provider: repository / Type: Initial release
Revision 1.1Apr 12, 2017Group: Database references
Revision 1.2Sep 13, 2017Group: Advisory / Author supporting evidence
Category: pdbx_audit_support / pdbx_unobs_or_zero_occ_residues
Item: _pdbx_audit_support.funding_organization
Revision 2.0Jul 29, 2020Group: Atomic model / Data collection ...Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / 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 / 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 / _atom_site_anisotrop.U[1][1] / _atom_site_anisotrop.U[1][2] / _atom_site_anisotrop.U[1][3] / _atom_site_anisotrop.U[2][2] / _atom_site_anisotrop.U[2][3] / _atom_site_anisotrop.U[3][3] / _atom_site_anisotrop.pdbx_auth_asym_id / _atom_site_anisotrop.pdbx_auth_atom_id / _atom_site_anisotrop.pdbx_auth_comp_id / _atom_site_anisotrop.pdbx_auth_seq_id / _atom_site_anisotrop.pdbx_label_asym_id / _atom_site_anisotrop.pdbx_label_atom_id / _atom_site_anisotrop.pdbx_label_comp_id / _atom_site_anisotrop.type_symbol / _chem_comp.name / _chem_comp.type / _entity.formula_weight / _entity.pdbx_description / _entity.pdbx_number_of_molecules / _entity.type / _pdbx_struct_assembly_gen.asym_id_list / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_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 2.1Jan 10, 2024Group: Advisory / Data collection ...Advisory / 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 / pdbx_unobs_or_zero_occ_residues
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 2.2Nov 13, 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
A: Ig epsilon chain C region
B: Ig epsilon chain C region
C: Ig epsilon chain C region
D: Ig epsilon chain C region
E: Low affinity immunoglobulin epsilon Fc receptor
F: Low affinity immunoglobulin epsilon Fc receptor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)166,58210
Polymers164,9676
Non-polymers1,6164
Water00
1
A: Ig epsilon chain C region
B: Ig epsilon chain C region
E: Low affinity immunoglobulin epsilon Fc receptor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)83,2915
Polymers82,4833
Non-polymers8082
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area9060 Å2
ΔGint-17 kcal/mol
Surface area37340 Å2
MethodPISA
2
C: Ig epsilon chain C region
D: Ig epsilon chain C region
F: Low affinity immunoglobulin epsilon Fc receptor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)83,2915
Polymers82,4833
Non-polymers8082
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8950 Å2
ΔGint-17 kcal/mol
Surface area37850 Å2
MethodPISA
Unit cell
Length a, b, c (Å)80.520, 85.320, 88.230
Angle α, β, γ (deg.)117.870, 90.320, 112.620
Int Tables number1
Space group name H-MP1

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Components

#1: Protein
Ig epsilon chain C region


Mass: 34271.445 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: IGHE / Production host: Mus musculus (house mouse) / References: UniProt: P01854
#2: Protein Low affinity immunoglobulin epsilon Fc receptor / BLAST-2 / C-type lectin domain family 4 member J / Fc-epsilon-RII / Immunoglobulin E-binding factor ...BLAST-2 / C-type lectin domain family 4 member J / Fc-epsilon-RII / Immunoglobulin E-binding factor / Lymphocyte IgE receptor


Mass: 13940.530 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: FCER2, CD23A, CLEC4J, FCE2, IGEBF / Production host: Escherichia coli (E. coli) / References: UniProt: P06734
#3: 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.: 2
Source method: isolated from a genetically manipulated 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
#4: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 2
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
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: 2.92 Å3/Da / Density % sol: 57.87 %
Crystal growTemperature: 294 K / Method: vapor diffusion, sitting drop
Details: 15% (w/v) PEG 8,000, 0.1 M sodium citrate, 0.05 M ammonium sulfate

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9763 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Apr 12, 2012
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9763 Å / Relative weight: 1
ReflectionResolution: 3.5→76 Å / Num. obs: 21032 / % possible obs: 89.3 % / Redundancy: 1.7 % / Rmerge(I) obs: 0.319 / Net I/σ(I): 2.1
Reflection shellResolution: 3.5→3.69 Å / Rmerge(I) obs: 0.758

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
Aimlessdata scaling
PHASERphasing
BUSTER-TNT2.10.0refinement
PDB_EXTRACT3.2data extraction
iMOSFLMdata reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4EZM, 2WQR and 4J6J

4ezm

2wqr

4j6j


Resolution: 3.5→75.96 Å / Cor.coef. Fo:Fc: 0.5353 / Cor.coef. Fo:Fc free: 0.4725 / Cross valid method: THROUGHOUT / σ(F): 0 / SU Rfree Blow DPI: 0.71
RfactorNum. reflection% reflectionSelection details
Rfree0.2784 1087 5.2 %RANDOM
Rwork0.2659 ---
obs0.2665 20922 88.83 %-
Displacement parametersBiso max: 300 Å2 / Biso mean: 36.63 Å2 / Biso min: 3 Å2
Baniso -1Baniso -2Baniso -3
1-10.8689 Å27.9391 Å27.5666 Å2
2---13.3133 Å2-8.9135 Å2
3---2.4444 Å2
Refine analyzeLuzzati coordinate error obs: 0.947 Å
Refinement stepCycle: final / Resolution: 3.5→75.96 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11314 0 106 0 11420
Biso mean--92.93 --
Num. residues----1430
Refine LS restraints
Refine-IDTypeNumberRestraint functionWeightDev ideal
X-RAY DIFFRACTIONt_dihedral_angle_d4042SINUSOIDAL2
X-RAY DIFFRACTIONt_trig_c_planes267HARMONIC2
X-RAY DIFFRACTIONt_gen_planes1698HARMONIC5
X-RAY DIFFRACTIONt_it11711HARMONIC20
X-RAY DIFFRACTIONt_nbd
X-RAY DIFFRACTIONt_improper_torsion
X-RAY DIFFRACTIONt_pseud_angle
X-RAY DIFFRACTIONt_chiral_improper_torsion1576SEMIHARMONIC5
X-RAY DIFFRACTIONt_sum_occupancies
X-RAY DIFFRACTIONt_utility_distance
X-RAY DIFFRACTIONt_utility_angle
X-RAY DIFFRACTIONt_utility_torsion
X-RAY DIFFRACTIONt_ideal_dist_contact11221SEMIHARMONIC4
X-RAY DIFFRACTIONt_bond_d11711HARMONIC20.007
X-RAY DIFFRACTIONt_angle_deg15920HARMONIC20.84
X-RAY DIFFRACTIONt_omega_torsion1.11
X-RAY DIFFRACTIONt_other_torsion20.23
LS refinement shellResolution: 3.5→3.67 Å / Total num. of bins used: 11
RfactorNum. reflection% reflection
Rfree0.2468 139 5.18 %
Rwork0.2411 2546 -
all0.2414 2685 -
obs--88.83 %
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)
12.219-2.5736-0.21352.7771-1.2098-2.10020.00750.08880.1232-0.1672-0.00230.0558-0.0651-0.0076-0.0052-0.17040.2208-0.0857-0.009-0.04440.106430.8499-35.54921.8062
28.4668-0.49270.29692.97674.31815.915-0.07640.0202-0.33180.11390.026-0.03350.2359-0.03790.05030.18510.0746-0.07580.0171-0.04060.202137.6788-44.722327.7746
32.9665-5.45230.80966.1309-1.19366.2198-0.00410.1834-0.4548-0.1462-0.1903-0.23640.2905-0.13640.19440.15680.1597-0.03790.40370.03320.111335.9667-47.282923.215
45.46282.7117-1.49926.934.16066.6964-0.0609-0.0741-0.08370.07220.0632-0.07280.11250.1425-0.00230.1107-0.0107-0.1532-0.1339-0.12260.240728.3292-47.579728.766
56.59071.1161-0.94363.2486-3.5286-1.66230.12050.2736-0.0171-0.0855-0.27670.0518-0.04390.14710.1562-0.1758-0.22720.0778-0.0792-0.21570.0986.1156-28.711830.8463
64.1178-1.50013.71156.71541.30682.1749-0.00150.41260.4932-0.39780.04090.235-0.2925-0.4875-0.03940.3133-0.0411-0.17220.2886-0.09480.19612.6546-35.76121.6311
72.43593.4666-1.70676.7737-0.48276.9676-0.07130.6456-0.0771-0.6651-0.0021-0.00940.0744-0.04790.0734-0.38980.1185-0.1674-0.09210.03030.03849.1471-34.669726.2241
82.8898-0.3997-2.3547-0.8104-1.4236-1.11670.043-0.0559-0.00460.0411-0.0523-0.0031-0.068-0.02790.0093-0.1964-0.04810.0535-0.19080.18770.069415.4077-19.421745.0199
91.4524-0.7018-1.77860.6769-1.43553.3851-0.00150.04320.0181-0.13450.00850.2414-0.1268-0.0471-0.0070.17020.08060.0248-0.09210.10650.1545-4.62773.399838.5012
103.565-3.1066-3.28919.103-2.79283.52070.0475-0.03880.2333-0.0102-0.24830.3643-0.5173-0.58580.2008-0.2207-0.15670.1376-0.3056-0.0655-0.37511.2037-11.648141.9072
11-1.53271.2889-0.03737.4557-1.86441.6551-0.03440.0513-0.2896-0.0784-0.1059-0.10520.49490.15130.14040.08950.02230.09550.0275-0.0572-0.217734.6915-27.872225.3369
122.5621-1.9836-2.56210.2614-0.4346.76320.0114-0.0430.2251-0.0024-0.01470.4026-0.0745-0.12880.00330.14280.02210.24860.2648-0.01130.117637.6658-21.3231.6077
134.7447-2.3727-5.23853.9083-0.77558.66730.08250.31920.0247-0.52770.01450.1210.1032-0.1082-0.0970.1501-0.16260.14510.08210.158-0.252733.4162-24.472421.7859
143.6597-0.7152-3.67640.5696-2.65677.78660.0865-0.1383-0.10790.0173-0.04620.03810.02580.0719-0.04030.1009-0.01360.03880.25890.191-0.174912.8483-5.263110.4735
15-1.92490.79110.83571.47310.31798.9875-0.0456-0.0611-0.15910.0068-0.1066-0.11510.19360.1820.15220.012-0.16660.01830.02860.27-0.052416.9128-1.05233.1963
163.09680.369-0.42584.69520.691410.1081-0.05640.1042-0.1218-0.00690.0683-0.37390.2059-0.0034-0.0119-0.1689-0.13040.02260.00160.35930.015418.4282-2.55045.2382
171.3176-0.4166-0.3908-0.27770.37551.4833-0.0107-0.0087-0.04120.0002-0.0108-0.02790.07320.01210.02150.3846-0.0458-0.04840.06920.10270.319119.924-15.9502-4.4275
187.7034-2.7004-0.93952.02243.37733.9076-0.0467-0.2536-0.41650.55790.1423-0.4829-0.05120.095-0.0955-0.0927-0.3127-0.0998-0.18940.2675-0.02619.41760.139327.2026
192.2215-0.334-2.07159.9501-0.29392.5472-0.0363-0.01590.02820.1081-0.03050.04390.02950.06180.06680.0535-0.27190.0421-0.0050.0174-0.04529.8133-2.786132.1051
204.95663.6123-1.24096.3103-1.85746.77090.1358-0.25310.0930.0225-0.0897-0.1112-0.1660.0475-0.0460.3694-0.08160.03390.01690.17040.2929.827810.556731.7212
218.983-0.31161.30321.5356-0.060710.6498-0.24570.0243-0.01340.31060.18460.4229-0.2724-0.28790.06110.02640.07050.15430.11040.1887-0.1937-47.793324.980315.8478
224.4619-0.26063.219610.6439-0.4327.02390.0455-0.0224-0.0902-0.17820.1177-0.0378-0.0184-0.0045-0.16320.32630.0597-0.19810.09170.03240.2167-40.17230.465715.181
233.2553-3.5262-0.4687-2.27171.67684.7667-0.0040.38780.4783-0.16440.16410.0087-0.3446-0.0915-0.1601-0.2445-0.0553-0.048-0.1291-0.0972-0.2935-16.286114.26534.5332
245.27062.12892.80872.67974.41286.80060.04080.26490.3406-0.4308-0.0673-0.2794-0.2410.12590.02640.1332-0.1514-0.11560.268-0.20220.0777-15.906925.635710.2468
258.4143-0.4230.61739.90210.06293.22640.01910.09680.0088-0.0636-0.0285-0.0854-0.0566-0.03140.00940.3079-0.08920.14140.297-0.00150.3079-6.263224.21981.2084
261.9811.17283.88076.4948-0.91473.09980.06690.22280.894-0.08330.0825-0.2538-0.727-0.0098-0.1494-0.2091-0.1489-0.007-0.36270.1076-0.02-19.281520.7787.7537
271.4166-0.0058-1.58730.5756-1.5301-0.43060.03920.0876-0.0839-0.19090.0195-0.01420.13580.0557-0.0587-0.0251-0.13770.0642-0.07540.05370.0719-26.8432-2.55154.3009
28-1.0575-1.10452.2225.0570.98046.3678-0.01360.27330.0515-0.3469-0.1128-0.3450.03270.33060.1264-0.165-0.0536-0.1699-0.12260.1274-0.219-10.5456-6.789-13.4259
293.7787-4.1916-2.22424.3201-1.78337.2650.05750.0765-0.1534-0.04460.125-0.1476-0.09160.0265-0.1825-0.0882-0.1646-0.29-0.09270.1223-0.2399-13.24-0.3982-5.3055
302.3899-2.2970.3349-4.216-0.01653.74830.04450.2333-0.3076-0.42090.0661-0.3490.24810.4732-0.11070.059-0.1162-0.2888-0.03470.2128-0.1503-7.2567-8.9424-2.9655
315.63031.6138-0.75852.8139-1.91457.9533-0.17190.11240.06160.25740.0527-0.2712-0.0749-0.14640.11930.0916-0.0409-0.09240.0926-0.0524-0.2637-44.314216.7187-0.2991
321.54760.8185-3.9248-0.5018-1.92954.0827-0.1377-0.0293-0.04160.3208-0.0074-0.0015-0.23820.33160.14510.0774-0.0569-0.10760.09890.14860.2187-42.290919.3308-4.9098
33-0.1971-0.26540.732.3089-1.025-0.99840.00020.0545-0.0122-0.04360.0264-0.01640.01080.0079-0.02650.11410.2378-0.03120.05620.14780.1184-20.600911.4808-31.6378
345.15563.07740.245511.2206-1.55865.33610.0232-0.1470.4333-0.04540.01460.23-0.2797-0.1794-0.0379-0.3402-0.11490.0349-0.01310.2238-0.0582-28.984524.6954-32.0282
354.04560.1291-4.16011.5214-2.71146.02180.0254-0.01160.2177-0.11240.1224-0.0167-0.2124-0.0017-0.1479-0.1572-0.03380.1144-0.02740.15760.0403-25.541421.7685-31.3123
366.5030.50333.21364.8756-1.59223.48210.0227-0.10360.17760.2954-0.04630.0014-0.5298-0.04160.02360.10380.14250.0610.15730.03370.3946-22.013132.5439-26.2778
375.3115-0.3474-0.03562.57030.10086.3087-0.0418-0.1718-0.27790.2870.04610.17530.3808-0.1917-0.00440.00850.0153-0.08850.09610.1454-0.1638-17.4786-7.4723-17.5393
386.8628-2.09820.3571-1.14781.60676.023-0.05810.0397-0.06170.0839-0.060.21540.17370.01090.1181-0.1627-0.1382-0.2204-0.04640.1403-0.1552-17.4203-0.5503-21.0726
396.455-0.11283.66683.5966-4.18755.07470.08720.1427-0.3205-0.24460.08410.3303-0.04-0.4938-0.17130.0404-0.1988-0.01040.1049-0.1374-0.0356-22.9591-4.0015-20.5787
40-2.23991.75290.61151.94750.87930.35370.0721-0.01050.178-0.145-0.0843-0.1697-0.0542-0.01850.01230.3605-0.011-0.05270.03820.0188-0.0325-16.2578-2.2269-30.8747
416.189-0.63231.2327-3.87230.33024.6728-0.0228-0.1253-0.16060.20370.01340.03820.35750.02350.00950.0977-0.2748-0.01480.206-0.0460.009924.5881-54.558252.4835
42-0.70110.13170.73130.22580.47441.80850.015-0.0329-0.0731-0.04310.04070.03050.0394-0.0104-0.0557-0.36010.02070.0937-0.104-0.0140.048917.5714-44.812843.3646
433.4304-2.5424-0.2876-1.186-0.0592.3551-0.0035-0.015-0.01750.00120.01640.05150.0776-0.0653-0.01290.20910.148-0.04330.1685-0.0633-0.020417.8276-50.534550.8767
44-0.7980.49860.42711.03970.12240.0307-0.0001-0.0054-0.01480.00290.00880.0776-0.0039-0.0672-0.0087-0.1108-0.0839-0.2838-0.174-0.04480.01624.6245-46.247263.7538
452.6425-3.08390.2581.4955-1.5101-2.2642-0.0547-0.0588-0.14470.00060.0889-0.44350.53230.3273-0.0342-0.14520.03290.04710.23840.0169-0.136628.477-45.241553.7163
460.9669-0.96930.1509-0.2073-0.7267-0.6923-0.0221-0.0052-0.02110.053-0.00550.04910.0027-0.01720.0275-0.0807-0.010.08790.07880.11580.34499.9291-31.021153.2168
471.4351-0.088-1.42731.6674-1.963-2.51320.00940.02310.0141-0.01330.0110.0066-0.0032-0.0309-0.0204-0.2435-0.04560.0678-0.0570.08440.258814.7847-38.238557.1412
48-0.7081.7947-0.96612.96360.74963.6178-0.00370.0077-0.00120.00880.03280.0202-0.0162-0.0053-0.02910.1010.0581-0.02160.2136-0.03080.21919.3704-39.295963.6075
491.9421-0.6105-0.63782.445-2.0513-2.96050.0017-0.06680.03420.09250.0178-0.1395-0.04970.0057-0.0195-0.0516-0.0821-0.1828-0.04530.1330.062628.7442-37.263554.2834
506.88911.4846-2.61010.2599-0.35380.7694-0.014-0.04910.1499-0.01790.013-0.02110.1154-0.05860.001-0.0699-0.2004-0.0486-0.05230.23090.143324.4823-42.84645.9748
511.49541.1113-1.4773-0.39361.07933.18440.03220.00860.0567-0.06110.0161-0.0802-0.0420.0487-0.04820.29480.02050.05910.0108-0.1996-0.0073-33.97234.53442.8726
52-1.4065-0.52841.71272.30712.16022.3820.00550.01030.11520.02360.03750.0077-0.0473-0.0694-0.0430.23150.0539-0.05620.0345-0.05870.2498-36.90538.435.3646
530.29950.0768-0.2602-0.1979-0.02690.1622-0.0046-0.04980.01120.0477-0.0010.0555-0.090.0190.0056-0.16790.0292-0.1631-0.08650.0111-0.1708-30.428910.816622.6385
542.1386-1.5753-3.24021.84590.31786.6466-0.02090.03260.20340.033-0.0298-0.1168-0.1631-0.02530.05070.1350.19280.14120.1302-0.09370.0855-28.90474.84832.7496
55-0.2708-0.27890.91341.9426-0.8455-1.65840.0202-0.00790.0136-0.0088-0.01120.0528-0.1033-0.0695-0.0091-0.0592-0.05890.0032-0.2264-0.11170.1269-38.8745-4.473336.7187
561.9523-0.3451-0.56732.19340.50210.49470.03670.00770.0379-0.041-0.0253-0.0329-0.054-0.0403-0.01140.3081-0.12080.10430.0928-0.04170.1107-45.01573.164331.6684
571.25512.41922.76023.2861-0.78335.6214-0.010.0372-0.0858-0.04160.0165-0.02760.06430.0564-0.0065-0.2005-0.0744-0.04890.19490.13210.1847-26.4258-1.725921.175
581.8889-1.99541.57643.6902-1.61450.666-0.02330.032-0.0585-0.0106-0.02010.05530.05570.07110.0434-0.01720.0526-0.1420.16850.0969-0.0003-26.5658-6.528127.0829
593.1853-2.8833-0.5770.6547-0.2908-0.4309-0.06150.0386-0.00730.1272-0.11880.0160.2008-0.03110.18030.039-0.1203-0.0983-0.25590.1134-0.0392-37.9964-2.251721.9944
602.8003-3.82671.5682-0.4395-0.373-0.2325-0.09160.06090.06140.05810.0680.01910.0858-0.01640.0237-0.38920.1071-0.1324-0.07490.0683-0.1656-35.00218.129926.1566
610.3937-0.40250.20071.081-1.2362-0.21710.004-0.01810.0210.03010.0001-0.0499-0.01650.0085-0.00410.05010.08240.05380.01350.07050.29415.9031-19.676123.1096
62-0.68480.19451.62691.71840.74340.7847-0.00910.0148-0.0122-0.00280.0052-0.0768-0.0279-0.0280.00390.0796-0.0917-0.01240.2174-0.0342-0.092817.5094-13.173415.3709
631.4764-0.1317-0.5235-0.93060.01820.73930.02740.01170.018-0.042-0.0052-0.0633-0.05850.0434-0.0222-0.08850.0331-0.01130.2971-0.05940.0598-15.672115.8527-6.5676
641.1796-0.73261.2720.5544-0.89980.4224-0.03210.0167-0.00180.02660.0293-0.02860.0258-0.0430.00280.023-0.12110.01590.16040.15420.0905-26.782720.8477-17.0235
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1{ A|234 - A|246 }A234 - 246
2X-RAY DIFFRACTION2{ A|247 - A|267 }A247 - 267
3X-RAY DIFFRACTION3{ A|268 - A|314 }A268 - 314
4X-RAY DIFFRACTION4{ A|315 - A|331 }A315 - 331
5X-RAY DIFFRACTION5{ A|332 - A|361 }A332 - 361
6X-RAY DIFFRACTION6{ A|362 - A|393 }A362 - 393
7X-RAY DIFFRACTION7{ A|394 - A|435 }A394 - 435
8X-RAY DIFFRACTION8{ A|436 - A|445 }A436 - 445
9X-RAY DIFFRACTION9{ A|446 - A|458 }A446 - 458
10X-RAY DIFFRACTION10{ A|459 - A|540 }A459 - 540
11X-RAY DIFFRACTION11{ B|235 - B|272 }B235 - 272
12X-RAY DIFFRACTION12{ B|273 - B|287 }B273 - 287
13X-RAY DIFFRACTION13{ B|288 - B|333 }B288 - 333
14X-RAY DIFFRACTION14{ B|334 - B|348 }B334 - 348
15X-RAY DIFFRACTION15{ B|349 - B|383 }B349 - 383
16X-RAY DIFFRACTION16{ B|384 - B|419 }B384 - 419
17X-RAY DIFFRACTION17{ B|420 - B|424 }B420 - 424
18X-RAY DIFFRACTION18{ B|425 - B|486 }B425 - 486
19X-RAY DIFFRACTION19{ B|487 - B|515 }B487 - 515
20X-RAY DIFFRACTION20{ B|516 - B|540 }B516 - 540
21X-RAY DIFFRACTION21{ C|235 - C|295 }C235 - 295
22X-RAY DIFFRACTION22{ C|296 - C|331 }C296 - 331
23X-RAY DIFFRACTION23{ C|332 - C|362 }C332 - 362
24X-RAY DIFFRACTION24{ C|363 - C|383 }C363 - 383
25X-RAY DIFFRACTION25{ C|384 - C|393 }C384 - 393
26X-RAY DIFFRACTION26{ C|394 - C|435 }C394 - 435
27X-RAY DIFFRACTION27{ C|436 - C|444 }C436 - 444
28X-RAY DIFFRACTION28{ C|445 - C|471 }C445 - 471
29X-RAY DIFFRACTION29{ C|472 - C|509 }C472 - 509
30X-RAY DIFFRACTION30{ C|510 - C|540 }C510 - 540
31X-RAY DIFFRACTION31{ D|235 - D|278 }D235 - 278
32X-RAY DIFFRACTION32{ D|279 - D|341 }D279 - 341
33X-RAY DIFFRACTION33{ D|342 - D|348 }D342 - 348
34X-RAY DIFFRACTION34{ D|349 - D|391 }D349 - 391
35X-RAY DIFFRACTION35{ D|392 - D|418 }D392 - 418
36X-RAY DIFFRACTION36{ D|419 - D|437 }D419 - 437
37X-RAY DIFFRACTION37{ D|438 - D|458 }D438 - 458
38X-RAY DIFFRACTION38{ D|459 - D|477 }D459 - 477
39X-RAY DIFFRACTION39{ D|478 - D|521 }D478 - 521
40X-RAY DIFFRACTION40{ D|522 - D|540 }D522 - 540
41X-RAY DIFFRACTION41{ E|166 - E|182 }E166 - 182
42X-RAY DIFFRACTION42{ E|183 - E|193 }E183 - 193
43X-RAY DIFFRACTION43{ E|194 - E|200 }E194 - 200
44X-RAY DIFFRACTION44{ E|201 - E|207 }E201 - 207
45X-RAY DIFFRACTION45{ E|208 - E|224 }E208 - 224
46X-RAY DIFFRACTION46{ E|225 - E|229 }E225 - 229
47X-RAY DIFFRACTION47{ E|230 - E|238 }E230 - 238
48X-RAY DIFFRACTION48{ E|239 - E|243 }E239 - 243
49X-RAY DIFFRACTION49{ E|258 - E|270 }E258 - 270
50X-RAY DIFFRACTION50{ E|271 - E|284 }E271 - 284
51X-RAY DIFFRACTION51{ F|165 - F|173 }F165 - 173
52X-RAY DIFFRACTION52{ F|174 - F|179 }F174 - 179
53X-RAY DIFFRACTION53{ F|180 - F|189 }F180 - 189
54X-RAY DIFFRACTION54{ F|190 - F|203 }F190 - 203
55X-RAY DIFFRACTION55{ F|204 - F|210 }F204 - 210
56X-RAY DIFFRACTION56{ F|211 - F|218 }F211 - 218
57X-RAY DIFFRACTION57{ F|219 - F|229 }F219 - 229
58X-RAY DIFFRACTION58{ F|230 - F|242 }F230 - 242
59X-RAY DIFFRACTION59{ F|243 - F|273 }F243 - 273
60X-RAY DIFFRACTION60{ F|274 - F|284 }F274 - 284
61X-RAY DIFFRACTION61{ A|601 - A|601 }A601
62X-RAY DIFFRACTION62{ B|601 - B|603 }B601 - 603
63X-RAY DIFFRACTION63{ C|601 - C|601 }C601
64X-RAY DIFFRACTION64{ D|601 - D|603 }D601 - 603

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