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- PDB-7r86: Structure of mouse BAI1 (ADGRB1) in complex with mouse Nogo recep... -

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Basic information

Entry
Database: PDB / ID: 7r86
TitleStructure of mouse BAI1 (ADGRB1) in complex with mouse Nogo receptor (RTN4R)
Components
  • Reticulon-4 receptor
  • Vasculostatin-120
KeywordsCELL ADHESION / adhesion GPCR / O-linked glycosylation / RTN4R / Nogo receptor
Function / homology
Function and homology information


Roundabout binding / neuronal signal transduction / ganglioside GM1 binding / chondroitin sulfate binding / neuregulin receptor activity / regulation of postsynapse assembly / ganglioside GT1b binding / negative regulation of axon regeneration / postsynaptic actin cytoskeleton organization / engulfment of apoptotic cell ...Roundabout binding / neuronal signal transduction / ganglioside GM1 binding / chondroitin sulfate binding / neuregulin receptor activity / regulation of postsynapse assembly / ganglioside GT1b binding / negative regulation of axon regeneration / postsynaptic actin cytoskeleton organization / engulfment of apoptotic cell / negative regulation of axon extension / phagocytosis, recognition / corpus callosum development / positive regulation of synapse assembly / negative regulation of endothelial cell migration / negative chemotaxis / regulation of synapse assembly / positive regulation of myoblast fusion / positive regulation of reactive oxygen species biosynthetic process / positive regulation of Rho protein signal transduction / muscle organ development / phagocytosis, engulfment / phosphatidylserine binding / phagocytic cup / axonal growth cone / negative regulation of protein ubiquitination / negative regulation of angiogenesis / axonogenesis / positive regulation of GTPase activity / dendritic shaft / axon guidance / PDZ domain binding / G protein-coupled receptor activity / lipopolysaccharide binding / negative regulation of protein catabolic process / regulation of synaptic plasticity / adenylate cyclase-activating G protein-coupled receptor signaling pathway / transmembrane signaling receptor activity / negative regulation of neuron projection development / presynapse / signaling receptor activity / heparin binding / nervous system development / growth cone / perikaryon / postsynaptic membrane / defense response to Gram-negative bacterium / dendritic spine / postsynaptic density / cell surface receptor signaling pathway / neuron projection / membrane raft / external side of plasma membrane / innate immune response / focal adhesion / neuronal cell body / glutamatergic synapse / dendrite / protein-containing complex binding / perinuclear region of cytoplasm / cell surface / endoplasmic reticulum / extracellular space / plasma membrane
Similarity search - Function
GPCR, family 2, brain-specific angiogenesis inhibitor / Adhesion G protein-coupled receptor B, N-terminal domain / Adhesion GPCR B N-terminal region / : / GAIN domain, N-terminal / GPCR-Autoproteolysis INducing (GAIN) domain / GAIN domain superfamily / GPCR proteolysis site, GPS, motif / GPS motif / GAIN-B domain profile. ...GPCR, family 2, brain-specific angiogenesis inhibitor / Adhesion G protein-coupled receptor B, N-terminal domain / Adhesion GPCR B N-terminal region / : / GAIN domain, N-terminal / GPCR-Autoproteolysis INducing (GAIN) domain / GAIN domain superfamily / GPCR proteolysis site, GPS, motif / GPS motif / GAIN-B domain profile. / G-protein-coupled receptor proteolytic site domain / Thrombospondin type 1 domain / Thrombospondin type-1 (TSP1) repeat superfamily / Thrombospondin type-1 (TSP1) repeat profile. / Thrombospondin type 1 repeats / Thrombospondin type-1 (TSP1) repeat / GPCR, family 2, extracellular hormone receptor domain / G-protein coupled receptors family 2 profile 1. / Domain present in hormone receptors / Hormone receptor domain / GPCR family 2, extracellular hormone receptor domain superfamily / GPCR, family 2, secretin-like / 7 transmembrane receptor (Secretin family) / GPCR, family 2-like / G-protein coupled receptors family 2 profile 2. / Leucine rich repeat / Leucine-rich repeat, typical subtype / Leucine-rich repeats, typical (most populated) subfamily / Leucine-rich repeat profile. / Leucine-rich repeat / Leucine-rich repeat domain superfamily
Similarity search - Domain/homology
ACETATE ION / alpha-D-mannopyranose / 4-AMINOBENZOIC ACID / Adhesion G protein-coupled receptor B1 / Reticulon-4 receptor
Similarity search - Component
Biological speciesMus musculus (house mouse)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.65 Å
AuthorsMiao, Y. / Jude, K.M. / Garcia, K.C.
Funding support United States, 1items
OrganizationGrant numberCountry
Howard Hughes Medical Institute (HHMI) United States
CitationJournal: Cell / Year: 2021
Title: RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Authors: Wang, J. / Miao, Y. / Wicklein, R. / Sun, Z. / Wang, J. / Jude, K.M. / Fernandes, R.A. / Merrill, S.A. / Wernig, M. / Garcia, K.C. / Sudhof, T.C.
History
DepositionJun 26, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 10, 2021Provider: repository / Type: Initial release
Revision 1.1May 25, 2022Group: Database references / Category: citation / citation_author
Item: _citation.journal_abbrev / _citation.journal_id_CSD ..._citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.3Oct 30, 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: Reticulon-4 receptor
B: Reticulon-4 receptor
C: Vasculostatin-120
D: Vasculostatin-120
hetero molecules


Theoretical massNumber of molelcules
Total (without water)79,11727
Polymers75,9014
Non-polymers3,21623
Water11,367631
1
A: Reticulon-4 receptor
C: Vasculostatin-120
hetero molecules


Theoretical massNumber of molelcules
Total (without water)39,81916
Polymers37,9502
Non-polymers1,86814
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Reticulon-4 receptor
D: Vasculostatin-120
hetero molecules


Theoretical massNumber of molelcules
Total (without water)39,29811
Polymers37,9502
Non-polymers1,3489
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)63.468, 95.315, 69.682
Angle α, β, γ (deg.)90.000, 105.390, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 26 through 84 or resid 86...
21(chain B and (resid 26 through 84 or resid 86...
12(chain C and (resid 4 through 28 or (resid 29...
22chain D

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111(chain A and (resid 26 through 84 or resid 86...A26 - 84
121(chain A and (resid 26 through 84 or resid 86...A86 - 89
131(chain A and (resid 26 through 84 or resid 86...A91 - 108
141(chain A and (resid 26 through 84 or resid 86...A210 - 215
151(chain A and (resid 26 through 84 or resid 86...A217 - 246
161(chain A and (resid 26 through 84 or resid 86...A248 - 291
171(chain A and (resid 26 through 84 or resid 86...A297 - 309
181(chain A and (resid 26 through 84 or resid 86...A310 - 311
211(chain B and (resid 26 through 84 or resid 86...B26 - 84
221(chain B and (resid 26 through 84 or resid 86...B86 - 89
231(chain B and (resid 26 through 84 or resid 86...B91 - 108
241(chain B and (resid 26 through 84 or resid 86...B210 - 215
251(chain B and (resid 26 through 84 or resid 86...B217 - 246
261(chain B and (resid 26 through 84 or resid 86...B248 - 291
271(chain B and (resid 26 through 84 or resid 86...B297 - 309
281(chain B and (resid 26 through 84 or resid 86...B310 - 311
112(chain C and (resid 4 through 28 or (resid 29...C4 - 28
122(chain C and (resid 4 through 28 or (resid 29...C29
132(chain C and (resid 4 through 28 or (resid 29...C3 - 501
142(chain C and (resid 4 through 28 or (resid 29...C3 - 501
152(chain C and (resid 4 through 28 or (resid 29...C3 - 501
212chain DD4 - 301

NCS ensembles :
ID
1
2

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Components

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Protein , 2 types, 4 molecules ABCD

#1: Protein Reticulon-4 receptor / Nogo receptor / NgR / Nogo-66 receptor / Nogo66 receptor-1 / NgR1


Mass: 31869.578 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Rtn4r, Ngr1, Nogor / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: Q99PI8
#2: Protein Vasculostatin-120 / Vstat120


Mass: 6080.832 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Adgrb1, Bai1 / Production host: Homo sapiens (human) / References: UniProt: Q3UHD1

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Sugars , 3 types, 10 molecules

#3: Polysaccharide beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose


Type: oligosaccharide / Mass: 326.297 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpb1-3LFucpa1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,2,1/[a1221m-1a_1-5][a2122h-1b_1-5]/1-2/a3-b1WURCSPDB2Glycan 1.1.0
[][L-1-deoxy-Fucp]{[(3+1)][b-D-Glcp]{}}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.: 4 / Source method: obtained synthetically / 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
#10: Sugar
ChemComp-MAN / alpha-D-mannopyranose / alpha-D-mannose / D-mannose / mannose


Type: D-saccharide, alpha linking / Mass: 180.156 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C6H12O6
IdentifierTypeProgram
DManpaCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
a-D-mannopyranoseCOMMON NAMEGMML 1.0
a-D-ManpIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
ManSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 6 types, 644 molecules

#5: Chemical ChemComp-PAB / 4-AMINOBENZOIC ACID


Mass: 137.136 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C7H7NO2
#6: Chemical ChemComp-PG4 / TETRAETHYLENE GLYCOL


Mass: 194.226 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C8H18O5 / Comment: precipitant*YM
#7: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C2H6O2
#8: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#9: Chemical ChemComp-ACT / ACETATE ION


Mass: 59.044 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C2H3O2
#11: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 631 / 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: 2.68 Å3/Da / Density % sol: 54.06 %
Crystal growTemperature: 295 K / Method: vapor diffusion, sitting drop
Details: 1 M succinic acid, pH 7.0, 0.02% w/v 4-Aminobenzioc acid, 0.02% w/v Azelaic acid, 0.02% w/v o-Sulfobenzoic acid monoammonium salt, 0.02% w/v Sodium 4-aminosalicylate dehydrate, 0.002 M HEPES sodium pH 6.8

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 0.97946 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Apr 8, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97946 Å / Relative weight: 1
ReflectionResolution: 1.65→40.24 Å / Num. obs: 94133 / % possible obs: 98.2 % / Redundancy: 4.6 % / CC1/2: 0.999 / Rmerge(I) obs: 0.081 / Rpim(I) all: 0.042 / Rrim(I) all: 0.092 / Net I/σ(I): 10.7 / Num. measured all: 435598 / Scaling rejects: 2
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. measured allNum. unique obsCC1/2Rpim(I) allRrim(I) allNet I/σ(I) obs% possible all
1.65-1.684.61.5442139046490.4110.7951.744198.5
9.04-40.244.70.02528766060.9990.0130.02842.298.4

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Processing

Software
NameVersionClassification
Aimless0.7.4data scaling
PHENIX1.14_3260refinement
PDB_EXTRACT3.25data extraction
XDSdata reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1OZN

1ozn


Resolution: 1.65→38.871 Å / SU ML: 0.22 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 21.06 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.1945 1998 2.12 %
Rwork0.165 92069 -
obs0.1656 94067 98.11 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 107.31 Å2 / Biso mean: 30.2624 Å2 / Biso min: 13.3 Å2
Refinement stepCycle: final / Resolution: 1.65→38.871 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5151 0 213 631 5995
Biso mean--43.76 39.3 -
Num. residues----653
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A2608X-RAY DIFFRACTION5.535TORSIONAL
12B2608X-RAY DIFFRACTION5.535TORSIONAL
21C469X-RAY DIFFRACTION5.535TORSIONAL
22D469X-RAY DIFFRACTION5.535TORSIONAL
LS refinement shell

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

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
1.6505-1.69170.31981410.2984657398
1.6917-1.73750.26461420.2691657698
1.7375-1.78860.30851430.2514654498
1.7886-1.84630.26371400.2302643497
1.8463-1.91230.27261420.201658999
1.9123-1.98890.21211440.1857662299
1.9889-2.07940.23541430.1772655798
2.0794-2.1890.22131400.1633649197
2.189-2.32620.18971430.1581657398
2.3262-2.50570.20551440.1641661999
2.5057-2.75780.20861430.1564657298
2.7578-3.15670.18161440.1639660398
3.1567-3.97650.17791440.1404666899
3.9765-38.8710.1421450.1406664897
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)
17.7445-2.27523.91283.0218-1.56162.5162-0.85291.71610.90280.18750.1358-0.5082-0.56460.88060.39930.3895-0.1567-0.07130.54860.17380.379913.379-3.5073.939
27.68360.31623.66171.5366-0.52762.7931-0.34840.66740.3295-0.19080.0784-0.1317-0.16170.24490.19840.2117-0.03630.0130.24360.01640.15067.553-8.8144.848
39.33044.43091.05564.15394.34897.6608-0.10990.2958-0.1343-0.24270.0634-0.118-0.1654-0.2338-0.00620.19130.005-0.01410.2411-0.01340.1429-2.078-12.215.8
44.09571.85581.29943.3851.0673.4681-0.01930.1324-0.0858-0.1692-0.0461-0.33410.04260.20770.0650.19710.02190.01040.18170.01970.165810.173-15.47210.562
56.29794.82422.08669.18161.94698.9414-0.11690.0159-0.3149-0.10280.166-0.10940.0134-0.0267-0.13280.15750.0079-0.00430.21430.00830.1666-3.974-14.98510.21
62.7095-0.63090.28032.2586-0.12821.36620.0166-0.0237-0.1093-0.0687-0.0211-0.07470.0449-0.0470.0140.1833-0.00010.00750.1554-0.00660.1433.921-19.14916.604
72.20130.76351.76132.5382-0.79264.0124-0.19550.1008-0.1276-0.14380.19720.0446-0.0395-0.26570.07350.1934-0.00970.01670.1835-0.00710.1536-1.644-15.52521.462
84.1869-0.83530.87182.1119-0.4512.4513-0.0579-0.03930.02490.00170.0181-0.1537-0.02740.04230.0310.1474-0.00340.01570.14490.00290.1272.791-18.43926.635
95.76742.5474-2.1843.09111.02782.9688-0.21130.3703-0.2056-0.47830.19430.54560.3715-0.6568-0.01360.2099-0.0195-0.01140.2481-0.02580.2009-11.205-19.44826.396
104.70534.04290.2475.173-2.24383.5824-0.1425-0.177-1.0034-0.17780.0865-0.28350.6820.10740.04440.28690.00420.00710.21130.05090.25850.095-25.45133.436
114.6540.3039-0.942.8933-0.83782.01570.0101-0.0648-0.11430.0569-0.0067-0.00060.1279-0.0089-0.00690.164-0.0097-0.00550.1371-0.02180.094-3.817-17.73333.278
125.7297-0.09190.10211.7262-0.12112.82710.0415-0.123-0.04860.0754-0.0561-0.00070.04750.02890.01850.1672-0.0015-0.00550.1185-0.01070.0973-5.44-16.67338.472
132.1447-1.90290.06742.0190.71287.9201-0.0237-0.10740.02580.3903-0.1236-0.56030.14790.61130.14920.2158-0.0124-0.01960.28770.02250.20983.06-14.19743.038
147.22562.819-1.14942.75830.65451.01660.0208-0.345-0.11090.0721-0.16430.04490.0598-0.03120.12010.1707-0.0129-0.00290.16650.01870.1524-13.478-12.10340.42
153.96064.0649-2.89944.673-4.44257.42740.2619-0.3893-0.20160.7514-0.1145-0.2772-0.1350.1824-0.03960.2771-0.0111-0.0220.29680.01260.2319-3.486-13.43249.261
162.10790.5317-0.74781.25-0.10091.53090.02510.0192-0.01850.09480.0106-0.0662-0.0624-0.003-0.03150.1937-0.01840.00430.1631-0.00910.1569-15.344-10.11948.918
174.63844.3246-5.09184.0683-4.73575.60860.5417-0.9280.09060.7545-0.5898-0.2793-0.95880.42070.14880.3447-0.08430.03290.2972-0.03610.268-5.839-3.66353.715
185.33376.568-2.03928.3826-1.5692.9543-0.23160.45270.3839-0.32130.25160.3111-0.1524-0.3476-0.05630.2231-0.00230.00670.2450.01710.1503-20.956-6.21446.697
198.9672-2.69095.58684.13292.08468.5454-0.07050.09720.4312-0.0922-0.14560.1328-0.6974-0.48450.21080.31320.04550.01540.21610.00850.1782-23.968-3.91751.688
206.0464.63350.01173.630.67016.4917-0.07710.3784-0.3861-0.37890.0731-0.5250.3223-0.5977-0.03960.3315-0.01120.01330.3045-0.01780.1833-20.88-11.02960.602
218.5599-0.404-0.48915.0759-1.49196.2901-0.06752.5435-0.6778-0.4594-0.57010.77330.12460.00510.2450.4825-0.0281-0.02630.955-0.3580.41652.0675.816-0.235
227.7275-1.60532.05094.6182-0.09213.4246-0.96280.3271-1.6130.4323-0.37511.30821.6328-1.4631.04990.4042-0.1080.18620.4194-0.22440.6194-5.0832.6629.777
232.2824-0.0058-2.4152.61880.28682.6271-0.22890.8064-0.6176-0.377-0.05170.08180.1214-0.26680.21270.2501-0.0034-0.0130.3063-0.03670.24517.049.2394.916
242.6328-2.40190.22555.404-2.31242.92360.10960.60280.2383-0.3509-0.01740.0256-0.1176-0.154-0.03570.23220.0056-0.03470.2143-0.00180.15459.25419.3565.955
258.22660.4223-1.57482.05290.32952.4855-0.00810.31360.1636-0.14010.00480.2674-0.0838-0.15180.0170.20930.0191-0.01330.15460.02410.19216.26413.85811.397
262.4648-0.5057-0.01072.6047-0.01151.30820.01190.05930.0165-0.0462-0.01040.1202-0.03520.0333-0.00030.17530.00230.00650.16440.00880.18789.32218.24117.666
274.0268-3.3453-2.43353.11753.40217.1907-0.1432-0.34350.4412-0.9010.4992-0.2172-0.60750.6069-0.37430.2465-0.075-0.00360.27940.00160.241322.28519.50219.924
284.26950.2293-0.91943.3877-0.65982.9276-0.01330.12350.2113-0.01960.10780.2177-0.0717-0.0786-0.10260.15790.0074-0.00190.1564-0.00120.18368.58622.27826.707
294.39020.58650.20586.22922.48625.2449-0.14270.06490.10190.11030.0228-0.0792-0.07540.15020.09960.1597-0.0029-0.02360.150.06350.133317.45519.38928.641
303.7946-1.4599-0.07093.2734-0.31412.2471-0.0979-0.195-0.18920.07120.11660.32870.0482-0.13060.00350.1554-0.01510.00590.16160.01640.175311.35314.3331.182
317.26431.82570.85155.33920.20131.56910.077-0.0840.60110.2469-0.10860.179-0.2268-0.1220.0050.18120.0098-0.0050.160.00190.131717.15621.96637.063
328.79811.7354-0.39553.30660.0953.2597-0.10610.21870.134-0.03790.1476-0.00020.04530.0698-0.01850.17720.00990.0040.12480.02960.162422.91214.52935.97
334.40955.85-0.73678.45361.43379.5288-0.1794-0.68140.63920.32410.00270.3793-0.2554-0.02520.17330.19260.0157-0.020.1807-0.04250.212317.94321.99945.037
343.4716-0.5149-0.40411.80320.54642.59710.0341-0.1322-0.11630.1501-0.0285-0.01980.0542-0.114-0.01180.2032-0.0187-0.00710.17050.0230.176921.18312.53740.985
353.57983.35434.35943.48154.37585.55970.2932-1.07380.26580.4556-0.44250.37970.2459-0.30020.1170.2553-0.03170.04030.3006-0.01170.227517.20815.5549.598
362.11330.9370.9681.50710.61432.07070.1292-0.0119-0.12520.1616-0.04210.07180.1645-0.0084-0.09910.1975-0.02-0.01360.15650.01630.195628.2879.79645.827
373.79113.26075.03292.90444.24457.02190.5441-0.568-0.31750.5305-0.28020.09630.5912-0.4512-0.21030.2853-0.04370.01260.26810.04370.210823.0028.06554.42
384.84726.64710.3519.11050.08523.2943-0.1131-0.0012-0.3613-0.30160.0407-0.4320.1540.3284-0.03380.22210.0145-0.01230.20570.01150.219334.1666.64746.741
397.6809-2.4115-3.78123.3904-0.71718.6642-0.0975-0.2172-0.3601-0.129-0.1115-0.07740.67450.63450.22220.27180.0382-0.03880.18640.03780.198436.7944.55552.414
403.53142.4705-3.73793.2297-3.72844.78050.2407-0.28070.65911.73540.0891-0.3893-0.73390.43530.08860.6644-0.0587-0.2270.37640.01730.348534.99112.37960.81
414.20942.76093.54157.84971.99612.99510.1969-0.95140.42722.03750.2896-0.7493-0.39021.0965-0.48760.6979-0.0636-0.09640.7232-0.19230.40151.59712.28853.623
422.6871.61660.37575.20622.54933.5820.14170.02370.00810.01480.00670.07150.1010.1236-0.14160.2461-0.00720.02610.20190.00440.2059-6.1682.30838.186
435.3395-0.85592.60438.20932.52372.3452-0.31730.47960.1699-0.97310.35150.2156-0.4936-0.08030.01250.3728-0.05370.02280.23720.02530.2029-5.045.70432.609
444.4897-1.10311.75628.47685.38475.85260.0278-0.93590.72950.7990.0770.1485-0.86630.3921-0.07950.4272-0.09350.09920.4613-0.13430.2732-3.02711.76948.666
451.35940.70420.70221.67181.59065.4822-0.3107-0.69370.613-0.160.3675-0.5475-0.46830.3209-0.06731.4342-0.38230.29180.7396-0.40340.6302-0.46919.84254.233
463.66020.84540.85625.99476.01156.04870.09080.25880.4233-0.13930.19460.1039-0.72090.1397-0.20290.403-0.0810.03740.26170.00580.2765-1.3599.85838.791
478.4069-0.5962.57398.40140.47841.7842-0.01541.05160.0399-1.77990.620.118-0.74010.3361-0.40930.608-0.07920.08670.39920.03090.2638-5.167-1.35726.357
485.9535-0.68472.04696.45733.20726.4819-0.1225-0.9707-0.67231.31060.2320.56450.8177-1.2933-0.30970.8329-0.2290.06170.96740.27250.517611.849-11.15753.529
492.37791.54610.72545.391-2.29252.73660.0706-0.1545-0.35120.1987-0.1156-0.33530.228-0.05020.07040.2492-0.0219-0.04180.19220.00640.253619.449-1.93338.227
505.0851-0.6189-3.37456.2181-2.22823.3774-0.27790.6274-0.3884-0.76540.0576-0.19570.3481-0.4120.14920.3521-0.0597-0.01520.2367-0.02140.281318.328-5.43832.703
512.8727-1.51690.9163.9652-2.84212.04910.2777-1.0097-0.67391.3109-0.1956-0.30351.0158-0.27610.20480.8296-0.2161-0.21460.6250.31110.377416.616-12.48451.147
526.459-0.7918-1.65329.7296-5.53433.86910.2127-0.4019-1.03030.7524-0.1373-0.42380.7686-0.0874-0.0460.5346-0.1415-0.12350.26390.05180.378114.936-11.39941.321
533.36992.8169-3.90132.5904-3.31734.5445-0.63341.2507-0.115-2.10710.80570.09320.4677-0.6178-0.11780.6487-0.1472-0.07060.4251-0.00150.338218.3831.60926.366
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 26:38 )A26 - 38
2X-RAY DIFFRACTION2( CHAIN A AND RESID 39:63 )A39 - 63
3X-RAY DIFFRACTION3( CHAIN A AND RESID 64:71 )A64 - 71
4X-RAY DIFFRACTION4( CHAIN A AND RESID 72:88 )A72 - 88
5X-RAY DIFFRACTION5( CHAIN A AND RESID 89:95 )A89 - 95
6X-RAY DIFFRACTION6( CHAIN A AND RESID 96:131 )A96 - 131
7X-RAY DIFFRACTION7( CHAIN A AND RESID 132:144 )A132 - 144
8X-RAY DIFFRACTION8( CHAIN A AND RESID 145:162 )A145 - 162
9X-RAY DIFFRACTION9( CHAIN A AND RESID 163:169 )A163 - 169
10X-RAY DIFFRACTION10( CHAIN A AND RESID 170:175 )A170 - 175
11X-RAY DIFFRACTION11( CHAIN A AND RESID 176:197 )A176 - 197
12X-RAY DIFFRACTION12( CHAIN A AND RESID 198:222 )A198 - 222
13X-RAY DIFFRACTION13( CHAIN A AND RESID 223:229 )A223 - 229
14X-RAY DIFFRACTION14( CHAIN A AND RESID 230:241 )A230 - 241
15X-RAY DIFFRACTION15( CHAIN A AND RESID 242:253 )A242 - 253
16X-RAY DIFFRACTION16( CHAIN A AND RESID 254:275 )A254 - 275
17X-RAY DIFFRACTION17( CHAIN A AND RESID 276:280 )A276 - 280
18X-RAY DIFFRACTION18( CHAIN A AND RESID 281:291 )A281 - 291
19X-RAY DIFFRACTION19( CHAIN A AND RESID 292:301 )A292 - 301
20X-RAY DIFFRACTION20( CHAIN A AND RESID 302:309 )A302 - 309
21X-RAY DIFFRACTION21( CHAIN B AND RESID 25:34 )B25 - 34
22X-RAY DIFFRACTION22( CHAIN B AND RESID 35:39 )B35 - 39
23X-RAY DIFFRACTION23( CHAIN B AND RESID 40:67 )B40 - 67
24X-RAY DIFFRACTION24( CHAIN B AND RESID 68:79 )B68 - 79
25X-RAY DIFFRACTION25( CHAIN B AND RESID 80:95 )B80 - 95
26X-RAY DIFFRACTION26( CHAIN B AND RESID 96:138 )B96 - 138
27X-RAY DIFFRACTION27( CHAIN B AND RESID 139:144 )B139 - 144
28X-RAY DIFFRACTION28( CHAIN B AND RESID 145:157 )B145 - 157
29X-RAY DIFFRACTION29( CHAIN B AND RESID 158:175 )B158 - 175
30X-RAY DIFFRACTION30( CHAIN B AND RESID 176:188 )B176 - 188
31X-RAY DIFFRACTION31( CHAIN B AND RESID 189:203 )B189 - 203
32X-RAY DIFFRACTION32( CHAIN B AND RESID 204:216 )B204 - 216
33X-RAY DIFFRACTION33( CHAIN B AND RESID 217:223 )B217 - 223
34X-RAY DIFFRACTION34( CHAIN B AND RESID 224:241 )B224 - 241
35X-RAY DIFFRACTION35( CHAIN B AND RESID 242:251 )B242 - 251
36X-RAY DIFFRACTION36( CHAIN B AND RESID 252:268 )B252 - 268
37X-RAY DIFFRACTION37( CHAIN B AND RESID 269:280 )B269 - 280
38X-RAY DIFFRACTION38( CHAIN B AND RESID 281:291 )B281 - 291
39X-RAY DIFFRACTION39( CHAIN B AND RESID 292:303 )B292 - 303
40X-RAY DIFFRACTION40( CHAIN B AND RESID 304:309 )B304 - 309
41X-RAY DIFFRACTION41( CHAIN C AND RESID 3:7 )C3 - 7
42X-RAY DIFFRACTION42( CHAIN C AND RESID 8:16 )C8 - 16
43X-RAY DIFFRACTION43( CHAIN C AND RESID 17:22 )C17 - 22
44X-RAY DIFFRACTION44( CHAIN C AND RESID 23:27 )C23 - 27
45X-RAY DIFFRACTION45( CHAIN C AND RESID 28:42 )C28 - 42
46X-RAY DIFFRACTION46( CHAIN C AND RESID 43:48 )C43 - 48
47X-RAY DIFFRACTION47( CHAIN C AND RESID 49:54 )C49 - 54
48X-RAY DIFFRACTION48( CHAIN D AND RESID 4:7 )D4 - 7
49X-RAY DIFFRACTION49( CHAIN D AND RESID 8:16 )D8 - 16
50X-RAY DIFFRACTION50( CHAIN D AND RESID 17:22 )D17 - 22
51X-RAY DIFFRACTION51( CHAIN D AND RESID 23:29 )D23 - 29
52X-RAY DIFFRACTION52( CHAIN D AND RESID 41:48 )D41 - 48
53X-RAY DIFFRACTION53( CHAIN D AND RESID 49:54 )D49 - 54

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