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- PDB-6oel: Engineered Fab bound to IL-4 receptor -

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Basic information

Entry
Database: PDB / ID: 6oel
TitleEngineered Fab bound to IL-4 receptor
Components
  • (engineered Fab ...) x 2
  • Cytokine receptor common subunit gamma
  • Interleukin-4 receptor subunit alpha
  • engineered Interleukin-4, RGA variant
KeywordsIMMUNE SYSTEM / cytokine receptor / fab
Function / homology
Function and homology information


interleukin-4 receptor activity / mature B cell differentiation / interleukin-15 receptor activity / interleukin-2 binding / CD4-positive, CD25-positive, alpha-beta regulatory T cell differentiation / interleukin-4 receptor binding / positive regulation of isotype switching to IgE isotypes / negative regulation of complement-dependent cytotoxicity / negative regulation of T-helper 1 cell differentiation / T-helper 1 cell differentiation ...interleukin-4 receptor activity / mature B cell differentiation / interleukin-15 receptor activity / interleukin-2 binding / CD4-positive, CD25-positive, alpha-beta regulatory T cell differentiation / interleukin-4 receptor binding / positive regulation of isotype switching to IgE isotypes / negative regulation of complement-dependent cytotoxicity / negative regulation of T-helper 1 cell differentiation / T-helper 1 cell differentiation / positive regulation of cellular respiration / production of molecular mediator involved in inflammatory response / Interleukin-18 signaling / positive regulation of T cell differentiation in thymus / regulation of isotype switching / negative regulation of neuroinflammatory response / negative regulation of epithelial cell migration / positive regulation of T-helper 2 cell differentiation / lymphocyte differentiation / Interleukin-9 signaling / Interleukin-21 signaling / interleukin-7-mediated signaling pathway / positive regulation of T-helper 2 cell cytokine production / dendritic cell differentiation / interleukin-9-mediated signaling pathway / interleukin-4-mediated signaling pathway / neuroinflammatory response / positive regulation of mast cell degranulation / positive regulation of isotype switching to IgG isotypes / positive regulation of CD4-positive, CD25-positive, alpha-beta regulatory T cell differentiation / interleukin-2-mediated signaling pathway / positive regulation of interleukin-13 production / macrophage activation / positive regulation of amyloid-beta clearance / myeloid dendritic cell differentiation / interleukin-15-mediated signaling pathway / positive regulation of MHC class II biosynthetic process / cellular homeostasis / positive regulation of macrophage activation / STAT3 nuclear events downstream of ALK signaling / Interleukin-15 signaling / cytokine receptor activity / Interleukin-2 signaling / type 2 immune response / T-helper 2 cell differentiation / negative regulation of cellular response to transforming growth factor beta stimulus / positive regulation of B cell differentiation / positive regulation of myoblast fusion / positive regulation of immunoglobulin production / positive regulation of T cell differentiation / defense response to protozoan / cytokine binding / negative regulation of osteoclast differentiation / positive regulation of ATP biosynthetic process / immunoglobulin mediated immune response / positive regulation of interleukin-10 production / positive regulation of macroautophagy / negative regulation of tumor necrosis factor production / Interleukin receptor SHC signaling / cell surface receptor signaling pathway via JAK-STAT / regulation of immune response / negative regulation of endothelial cell apoptotic process / cholesterol metabolic process / coreceptor activity / positive regulation of chemokine production / positive regulation of B cell proliferation / positive regulation of T cell proliferation / Interleukin-7 signaling / positive regulation of phagocytosis / T cell activation / B cell differentiation / cytokine activity / growth factor activity / positive regulation of receptor-mediated endocytosis / negative regulation of inflammatory response / centriolar satellite / cytokine-mediated signaling pathway / T cell differentiation in thymus / positive regulation of cold-induced thermogenesis / RAF/MAP kinase cascade / Interleukin-4 and Interleukin-13 signaling / gene expression / receptor complex / endosome / immune response / positive regulation of cell migration / external side of plasma membrane / negative regulation of DNA-templated transcription / positive regulation of cell population proliferation / positive regulation of gene expression / negative regulation of apoptotic process / positive regulation of DNA-templated transcription / cell surface / negative regulation of transcription by RNA polymerase II / signal transduction / positive regulation of transcription by RNA polymerase II / extracellular space / extracellular region / nucleoplasm / membrane
Similarity search - Function
Interleukin-4 receptor alpha, N-terminal / Interleukin-4 receptor alpha chain, N-terminal / : / : / Cytokine receptor-like factor 2-like, D2 domain / Cytokine receptor-like factor 2, domain 1 / Interleukin-4 / Interleukin 4 / Interleukin-4/interleukin-13 / Interleukin-4/interleukin-13, conserved site ...Interleukin-4 receptor alpha, N-terminal / Interleukin-4 receptor alpha chain, N-terminal / : / : / Cytokine receptor-like factor 2-like, D2 domain / Cytokine receptor-like factor 2, domain 1 / Interleukin-4 / Interleukin 4 / Interleukin-4/interleukin-13 / Interleukin-4/interleukin-13, conserved site / Interleukins -4 and -13 signature. / Interleukins 4 and 13 / Short hematopoietin receptor family 1 signature. / Short hematopoietin receptor, family 1, conserved site / Growth Hormone; Chain: A; - #10 / Four-helical cytokine-like, core / Growth Hormone; Chain: A; / Fibronectin type-III domain profile. / Fibronectin type III / Fibronectin type III superfamily / Immunoglobulin-like fold / Immunoglobulins / Up-down Bundle / Immunoglobulin-like / Sandwich / Mainly Beta / Mainly Alpha
Similarity search - Domain/homology
NITRATE ION / Interleukin-4 / Interleukin-4 receptor subunit alpha / Cytokine receptor common subunit gamma
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.1 Å
AuthorsJude, K.M. / Moraga, I. / Spangler, J.B. / Garcia, K.C.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)R01 AI51321 United States
CitationJournal: J.Biol.Chem. / Year: 2019
Title: A strategy for the selection of monovalent antibodies that span protein dimer interfaces.
Authors: Spangler, J.B. / Moraga, I. / Jude, K.M. / Savvides, C.S. / Garcia, K.C.
History
DepositionMar 27, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 7, 2019Provider: repository / Type: Initial release
Revision 1.1Aug 21, 2019Group: Data collection / Database references / Category: citation / citation_author
Item: _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed ..._citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID
Revision 1.2Oct 2, 2019Group: Data collection / Database references / Category: chem_comp / citation / citation_author
Item: _chem_comp.type / _citation.journal_volume ..._chem_comp.type / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.3Dec 18, 2019Group: Author supporting evidence / Category: pdbx_audit_support / 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 / 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 / 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 / _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 2.1Oct 11, 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_conn
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag
Revision 2.2Oct 9, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: engineered Interleukin-4, RGA variant
B: Interleukin-4 receptor subunit alpha
C: Cytokine receptor common subunit gamma
H: engineered Fab heavy chain
L: engineered Fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)111,32312
Polymers109,7875
Non-polymers1,5357
Water36020
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area11170 Å2
ΔGint-25 kcal/mol
Surface area41400 Å2
Unit cell
Length a, b, c (Å)328.100, 328.100, 328.100
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number210
Space group name H-MF4132
Space group name HallF4d23

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Components

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Protein , 3 types, 3 molecules ABC

#1: Protein engineered Interleukin-4, RGA variant / IL-4 / B-cell stimulatory factor 1 / BSF-1 / Binetrakin / Lymphocyte stimulatory factor 1 / Pitrakinra


Mass: 14981.291 Da / Num. of mol.: 1 / Fragment: UNP residues 25-153 / Mutation: K117R,T118V,R121Q,E122S,Y124W,S125F,S128G,S129A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: IL4 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P05112
#2: Protein Interleukin-4 receptor subunit alpha / IL-4RA


Mass: 22964.746 Da / Num. of mol.: 1 / Fragment: UNP residues 27-224
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: IL4R, IL4RA, 582J2.1 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P24394
#3: Protein Cytokine receptor common subunit gamma / Interleukin-2 receptor subunit gamma / IL-2RG / gammaC / p64


Mass: 22816.475 Da / Num. of mol.: 1 / Fragment: UNP residues 61-249
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: IL2RG / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P31785

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Antibody , 2 types, 2 molecules HL

#4: Antibody engineered Fab heavy chain


Mass: 24630.568 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Trichoplusia ni (cabbage looper)
#5: Antibody engineered Fab light chain


Mass: 24394.037 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Trichoplusia ni (cabbage looper)

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Sugars , 2 types, 6 molecules

#6: Polysaccharide alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 367.349 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
LFucpa1-6DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2/a6-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#7: 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.: 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

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Non-polymers , 2 types, 21 molecules

#8: Chemical ChemComp-NO3 / NITRATE ION


Mass: 62.005 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: NO3
#9: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 20 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 3.35 Å3/Da / Density % sol: 63.3 %
Crystal growTemperature: 295 K / Method: vapor diffusion, sitting drop / pH: 5.5
Details: 22.5% PurePEG (Microlytic), 0.1 M sodium citrate, pH 5.5, 0.6 M ammonium nitrate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.2.1 / Wavelength: 0.999939 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Feb 8, 2015
RadiationMonochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.999939 Å / Relative weight: 1
ReflectionResolution: 3.104→63.143 Å / Num. obs: 26526 / % possible obs: 100 % / Redundancy: 17.7 % / Biso Wilson estimate: 69.82 Å2 / CC1/2: 0.997 / Rsym value: 0.275 / Net I/σ(I): 14.87
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Mean I/σ(I) obsNum. unique obsCC1/2Rsym value% possible all
9.26-82.01514.9765.99120110.03599.3
6.57-9.2616.942.6619860.9990.059100
5.37-6.5717.5326.1924990.9980.114100
4.65-5.3717.922428990.9970.132100
4.16-4.6518.117.2532630.9950.206100
3.8-4.1617.997.9835740.9710.51397.1
3.52-3.818.14.2838810.9030.94499.9
3.29-3.5218.262.1741460.7421.896100
3.104-3.2917.351.0843950.4033.572100

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Processing

Software
NameVersionClassification
PHENIX1.15.2_3472refinement
XDSNovember 3, 2014data reduction
XDSNovember 3, 2014data scaling
PHASER2.5.7phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entries 3BPL & 3SOB

3bpl

3sob


Resolution: 3.1→63.14 Å / SU ML: 0.3704 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.8768
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflectionSelection details
Rfree0.2556 1327 5 %random selection
Rwork0.1988 25199 --
obs0.2016 26526 95.08 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 77.12 Å2
Refinement stepCycle: LAST / Resolution: 3.1→63.14 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7091 0 98 20 7209
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00277376
X-RAY DIFFRACTIONf_angle_d0.553110086
X-RAY DIFFRACTIONf_chiral_restr0.04071162
X-RAY DIFFRACTIONf_plane_restr0.00441275
X-RAY DIFFRACTIONf_dihedral_angle_d11.3814322
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.1-3.230.3982870.31311648X-RAY DIFFRACTION56.98
3.23-3.380.31661490.26122832X-RAY DIFFRACTION98.42
3.38-3.550.31011520.23032885X-RAY DIFFRACTION99.97
3.55-3.780.29481510.21322887X-RAY DIFFRACTION100
3.78-4.070.26871530.19992909X-RAY DIFFRACTION100
4.07-4.480.2091540.15912929X-RAY DIFFRACTION100
4.48-5.120.20371560.16022945X-RAY DIFFRACTION99.9
5.12-6.450.27691580.19522991X-RAY DIFFRACTION100
6.45-63.160.23051670.20373173X-RAY DIFFRACTION99.67
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)
17.883193034484.635325751890.6562427138757.415900887085.48376294788.158075347540.206662579729-0.3577696213611.35088886614-0.496022155079-0.37342320050.157641342558-0.0619746876422-0.5080386725680.5511794897320.5218558043280.1068204826070.2426858345750.4393945481950.2010233053910.702002310665-55.1948581284-18.4035486604-45.1123667038
22.664505575493.520951561232.07752151236.044719586915.743640073768.081827475730.1709395413460.6335476693330.989591747116-0.6137025070240.385381376704-0.673269176138-1.056285701740.267975924729-0.4964218756610.6560644455940.07092467011770.3010284207430.8701992473290.221124540050.924990355991-41.4590536812-15.8511611519-54.0520581434
38.089384849630.8650134372342.262635996836.88629394051-1.091904174162.518284783950.1542815070210.5197617332340.130621536196-0.3254603689660.16564548911-0.246216669571-0.4399398319710.378817623535-0.3055451484070.4191594177450.1055183569610.1909099767790.5123814966410.01928497862130.467407945334-43.6989338221-25.1395738912-51.2529557999
47.79203068345-4.0227095349-0.6110802539013.634651257510.3096677452787.745273870490.3472898181340.2406977523291.12221026932-0.0148852238312-0.0500327199077-0.0122756664015-1.504912429430.0386973028927-0.4094715841580.8102035646960.007071838067120.2490718334990.4400706495320.2378171450880.807405421897-49.8605225049-11.9216265415-50.7302934314
56.288486381357.60797388875.89597798529.410151016917.36971942378.920287723490.5483803862390.0400669890109-0.8603399919070.856471526216-0.1373531954170.02437310497530.597167383552-0.349097649162-0.7999077165790.3982960520520.2158165160640.1853587703120.6010628652340.1887159234310.850690512221-66.684897976-42.7430095064-42.2351934841
62.13719397118-1.711892296170.356196201526.30597843366-1.898972007844.161432118970.1527285052710.106867490743-0.165733272282-0.10523039840.0641545833740.8015939464940.230773654982-0.258967931123-0.2568494210580.3485745889230.05265692641210.07924098522090.4800641808910.05898902708630.570270089365-61.5255407481-45.9713335566-45.2794754471
75.66204914327-1.57343996702-4.034828146342.136123931392.536903017489.077776069820.0837898896842-0.3629126625710.7421065632960.0172236355716-0.0035301452194-0.621403006209-0.5089385303190.61252857176-0.1065540043370.339167771596-0.0099933369468-0.0349158844130.2898290472090.003130714323280.602658559082-65.6327691862-23.6364748467-19.6690832847
85.06955490489-1.2808341883-3.11815673893.354572535571.148901362566.669716267360.196694079141-0.1858131364810.33925220705-0.2197712177730.268535750766-0.141855779020.543914892568-0.426630569730.001599234259370.2788895242120.08851593667230.04308803677150.3291465910050.001200853571650.715504711983-67.9047694079-28.5409960642-21.417508194
92.395240333-2.128976850444.032619964042.16443730956-3.138424178927.47039170563-0.1397485290060.8337185718260.750500683965-0.727789882212-0.24855183799-2.08284489635-1.210614964181.487474620850.4652520507381.97301148102-0.05880109253950.8948272449310.8997464019960.1864535083622.21637833905-53.21026829287.76366635807-42.1154305591
105.405763846942.422453227873.007682143924.85344501530.711376917191.767380844791.192652839440.4248309217520.0427682123084-1.434809853240.728512346419-1.01686326233-2.297132682761.47181357807-0.7711597293091.76760355266-0.1218614083090.9317257875741.175764976410.05962808536131.58332754691-44.62656572667.11916331383-53.5838497628
118.09108416831-1.67286257723-1.204123165133.05712636783-1.726592620454.747197009880.6351493199320.448217693181.824147664580.1393512172750.821364076886-0.433628738976-1.60528034975-0.924808908124-1.387101911961.80021656880.035487548480.4782169102260.7647940780580.1223167399561.48184355334-49.662307357715.0200968639-50.1180132834
123.438285456011.9390769221-3.369978152312.37551855956-1.813095063556.612675725090.49653723077-0.1020778481030.910237705098-0.2849651534370.0584355987302-0.437175620368-0.9938124018310.121089614216-0.608114851280.87699440030.0235309646220.4021954257360.434980151217-0.02425737989231.22940998679-63.4613930451-4.01071102355-29.7449976512
137.219525540271.64170346665-1.491022848614.810926375190.9313947020722.01643876252-0.3584316814620.5393936640530.579577889542-0.8589009241960.1457095957151.290517159850.315167030358-0.247968112832-0.08790256098520.4545570623660.151876848508-0.03208167514780.16751168486-0.1213439520460.548635773429-106.709589749-29.5004436599-16.7255078008
143.3481237527-0.663528736014-0.3466714564043.42236290594-0.2568565151072.63532606670.09809968890850.4020297248790.442800155439-0.449286955698-0.09075419563790.1307205447970.280257681701-0.60695562775-0.01289620754440.3521879217720.1604245093240.01050147996150.00916679927042-0.118570556250.378061375363-96.8393157441-27.7255014473-14.73325573
154.86144936696-1.49726672555-0.6942591851224.220179509720.9509235146571.28654016124-0.0145191142625-0.140128583607-0.1534295453050.1510676358510.04662503248950.391004948769-0.0867926580230.1633098093250.03284768345490.2888956294460.06913168046310.08285518120950.150733874636-0.07002226904420.323145643618-96.7079008015-32.4006690837-10.8735948858
164.97878594961-2.271351043141.354573650942.987069762990.1071267313681.75880218662-0.5366736077531.076003350870.345892865807-0.7607618157750.1032331043860.521677506855-0.163884057134-0.5169767474580.2873786418590.6374012724380.0128840038765-0.3537842403640.391392370171-0.02358072906830.988703212709-118.991221984-13.9864194226-21.7536767041
175.43602667581-2.792409677270.7614342771233.856504466651.120433240543.94454591309-0.124271049171-0.5374554381080.3384537417790.2735424434220.225066603283-0.0964104613577-0.05690148024590.221837496973-0.08092151409930.317724008473-0.03536740877550.03220777723410.174006587599-0.09710658871130.415244984134-92.2891989801-9.20482215008-2.44184113263
189.29593285322-2.637141371772.504363653075.149916713910.7055779824288.765302724760.248979736451.34412360760.178717833789-0.783880764666-0.21384460987-0.0134571145905-0.254177809860.0494662104193-0.009886619566540.454904211055-0.003250011317440.016623493570.218649919325-0.10800269290.459664923837-91.7424236746-9.48669922156-15.1904866524
192.62195745255-1.07041361027-0.1253839387353.864776850140.0377865226771.134444772720.0214570155305-0.267015911154-0.0633536427494-0.4762808135090.1942493074710.5165850252640.198041719722-0.160121124522-0.03840058562680.4046259212940.064256278766-0.1137986461660.126370086273-0.2035168742470.349588391904-94.5793846876-11.9152589252-7.13939655718
201.246471588660.516784198079-0.9053284039690.188544028167-0.3710983389910.59922061575-0.3326691282890.6341519607120.626168116036-0.260608892029-0.06638375625621.25387227587-0.467594603841-0.6603986604850.148772983760.4383384856570.0970053458625-0.2945971453480.32339944848-0.001810265668181.63596779418-122.545384413-2.6413462092-15.9134843482
211.533771362880.069473267210.6300288424631.034646285280.5414595712991.58236527586-0.1915980407230.1753180817780.2034564776860.381524638514-0.2788961786131.77266640140.2190019028140.0875560601164-0.07407138194230.6694594828740.0185744759136-0.02701905496460.102857921934-0.2412366295041.87455650987-123.985698446-1.60654960818-10.9980677072
220.7113511220630.24350978321-0.5790053332080.110914421771-0.2084870072530.4802012363650.0532338525431-0.07154141978090.9947977364710.404123741845-0.4359249071791.75248759706-0.254129111101-0.7733601602850.3537167480120.5772371402720.01198971488990.01207722755020.52001311782-0.2973643135182.57202719993-133.262666433-0.0287949786943-13.1762778735
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 3 through 17 )
2X-RAY DIFFRACTION2chain 'A' and (resid 18 through 40 )
3X-RAY DIFFRACTION3chain 'A' and (resid 41 through 105 )
4X-RAY DIFFRACTION4chain 'A' and (resid 106 through 129 )
5X-RAY DIFFRACTION5chain 'B' and (resid 1 through 15 )
6X-RAY DIFFRACTION6chain 'B' and (resid 16 through 94 )
7X-RAY DIFFRACTION7chain 'B' and (resid 95 through 170 )
8X-RAY DIFFRACTION8chain 'B' and (resid 171 through 199 )
9X-RAY DIFFRACTION9chain 'C' and (resid 39 through 50 )
10X-RAY DIFFRACTION10chain 'C' and (resid 51 through 73 )
11X-RAY DIFFRACTION11chain 'C' and (resid 74 through 99 )
12X-RAY DIFFRACTION12chain 'C' and (resid 100 through 227 )
13X-RAY DIFFRACTION13chain 'H' and (resid 1 through 18 )
14X-RAY DIFFRACTION14chain 'H' and (resid 19 through 49 )
15X-RAY DIFFRACTION15chain 'H' and (resid 50 through 108 )
16X-RAY DIFFRACTION16chain 'H' and (resid 109 through 229 )
17X-RAY DIFFRACTION17chain 'L' and (resid 1 through 44 )
18X-RAY DIFFRACTION18chain 'L' and (resid 45 through 75 )
19X-RAY DIFFRACTION19chain 'L' and (resid 92 through 121 )
20X-RAY DIFFRACTION20chain 'L' and (resid 122 through 148 )
21X-RAY DIFFRACTION21chain 'L' and (resid 149 through 192 )
22X-RAY DIFFRACTION22chain 'L' and (resid 193 through 233 )

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