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- PDB-7khx: Mouse GITR-GITRL complex -

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Basic information

Entry
Database: PDB / ID: 7khx
TitleMouse GITR-GITRL complex
Components
  • Tumor necrosis factor ligand superfamily member 18
  • Tumor necrosis factor receptor superfamily member 18
KeywordsIMMUNE SYSTEM / TNFRSF / receptor-ligand complex
Function / homology
Function and homology information


regulation of dendritic cell chemotaxis / negative regulation of T-helper 17 cell lineage commitment / TNFs bind their physiological receptors / tumor necrosis factor receptor superfamily binding / tumor necrosis factor receptor activity / tumor necrosis factor receptor binding / positive regulation of monocyte chemotaxis / regulation of T cell proliferation / positive regulation of macrophage chemotaxis / positive regulation of cell adhesion ...regulation of dendritic cell chemotaxis / negative regulation of T-helper 17 cell lineage commitment / TNFs bind their physiological receptors / tumor necrosis factor receptor superfamily binding / tumor necrosis factor receptor activity / tumor necrosis factor receptor binding / positive regulation of monocyte chemotaxis / regulation of T cell proliferation / positive regulation of macrophage chemotaxis / positive regulation of cell adhesion / regulation of protein-containing complex assembly / T cell proliferation involved in immune response / tumor necrosis factor-mediated signaling pathway / cytokine activity / positive regulation of inflammatory response / positive regulation of NF-kappaB transcription factor activity / adaptive immune response / external side of plasma membrane / apoptotic process / negative regulation of apoptotic process / cell surface / extracellular space / extracellular region / identical protein binding / plasma membrane
Similarity search - Function
Tumour necrosis factor receptor 18 / Tumour necrosis factor receptor 18, N-terminal / Tumor necrosis factor ligand superfamily member 18 / TNF(Tumour Necrosis Factor) family / Tumour necrosis factor domain / Tumor necrosis factor (TNF) homology domain (THD) profile. / Tumor necrosis factor receptor / nerve growth factor receptor repeats. / TNFR/NGFR cysteine-rich region / Tumour necrosis factor-like domain superfamily
Similarity search - Domain/homology
Tumor necrosis factor receptor superfamily member 18 / Tumor necrosis factor ligand superfamily member 18
Similarity search - Component
Biological speciesMus musculus (house mouse)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.20569845167 Å
AuthorsWang, F. / Chau, B. / West, S.M. / Strop, P.
CitationJournal: Nat Commun / Year: 2021
Title: Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions.
Authors: Wang, F. / Chau, B. / West, S.M. / Kimberlin, C.R. / Cao, F. / Schwarz, F. / Aguilar, B. / Han, M. / Morishige, W. / Bee, C. / Dollinger, G. / Rajpal, A. / Strop, P.
History
DepositionOct 22, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 3, 2021Provider: repository / Type: Initial release
Revision 1.1Mar 17, 2021Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _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 / _citation_author.identifier_ORCID
Revision 1.2Oct 18, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
B: Tumor necrosis factor ligand superfamily member 18
D: Tumor necrosis factor receptor superfamily member 18
A: Tumor necrosis factor ligand superfamily member 18
C: Tumor necrosis factor receptor superfamily member 18
hetero molecules


Theoretical massNumber of molelcules
Total (without water)60,3868
Polymers59,2984
Non-polymers1,0884
Water00
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: mass spectrometry
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)70.540, 64.820, 81.230
Angle α, β, γ (deg.)90.000, 91.228, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11CYSCYSLYSLYS(chain 'C' and (resid 29 through 33 or resid 35...CD29 - 3310 - 14
12GLNGLNSERSER(chain 'C' and (resid 29 through 33 or resid 35...CD35 - 4616 - 27
13CYSCYSCYSCYS(chain 'C' and (resid 29 through 33 or resid 35...CD6041
14CYSCYSPROPRO(chain 'C' and (resid 29 through 33 or resid 35...CD62 - 7243 - 53
15CYSCYSCYSCYS(chain 'C' and (resid 29 through 33 or resid 35...CD7455
16ILEILEGLNGLN(chain 'C' and (resid 29 through 33 or resid 35...CD76 - 8657 - 67
17VALVALPHEPHE(chain 'C' and (resid 29 through 33 or resid 35...CD88 - 9869 - 79
18CYSCYSALAALA(chain 'C' and (resid 29 through 33 or resid 35...CD100 - 11081 - 91
19ASPASPTHRTHR(chain 'C' and (resid 29 through 33 or resid 35...CD113 - 13694 - 117
110ASNASNILEILE(chain 'C' and (resid 29 through 33 or resid 35...CD138 - 142119 - 123
21CYSCYSLYSLYS(chain 'D' and (resid 29 through 33 or resid 35...DB29 - 3310 - 14
22GLNGLNSERSER(chain 'D' and (resid 29 through 33 or resid 35...DB35 - 4616 - 27
23CYSCYSCYSCYS(chain 'D' and (resid 29 through 33 or resid 35...DB6041
24CYSCYSPROPRO(chain 'D' and (resid 29 through 33 or resid 35...DB62 - 7243 - 53
25CYSCYSCYSCYS(chain 'D' and (resid 29 through 33 or resid 35...DB7455
26ILEILEGLNGLN(chain 'D' and (resid 29 through 33 or resid 35...DB76 - 8657 - 67
27VALVALPHEPHE(chain 'D' and (resid 29 through 33 or resid 35...DB88 - 9869 - 79
28CYSCYSALAALA(chain 'D' and (resid 29 through 33 or resid 35...DB100 - 11081 - 91
29ASPASPTHRTHR(chain 'D' and (resid 29 through 33 or resid 35...DB113 - 13694 - 117
210ASNASNILEILE(chain 'D' and (resid 29 through 33 or resid 35...DB138 - 142119 - 123

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Components

#1: Protein Tumor necrosis factor ligand superfamily member 18 / GITR ligand / GITRL / Glucocorticoid-induced TNF-related ligand


Mass: 15028.454 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Tnfsf18, Gitrl / Production host: Homo sapiens (human) / References: UniProt: Q7TS55
#2: Protein Tumor necrosis factor receptor superfamily member 18 / Glucocorticoid-induced TNFR-related protein


Mass: 14620.600 Da / Num. of mol.: 2 / Mutation: C55S
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Tnfrsf18, Gitr / Production host: Homo sapiens (human) / References: UniProt: O35714
#3: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}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.: 3 / 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
Has ligand of interestN

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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: 3.13 Å3/Da / Density % sol: 60.72 %
Crystal growTemperature: 295.15 K / Method: vapor diffusion, sitting drop / pH: 8 / Details: 17% PEG1500 and 0.1 M Bicine pH 8.0

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 17-ID / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 7, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.2→53.823 Å / Num. obs: 9139 / % possible obs: 90.6 % / Redundancy: 3.3 % / Biso Wilson estimate: 144.16 Å2 / CC1/2: 0.995 / Net I/σ(I): 6.61
Reflection shellResolution: 3.2→3.32 Å / Num. unique obs: 4001 / CC1/2: 0.0279

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Processing

Software
NameVersionClassification
PHENIX1.11.1_2575refinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2Q8O

2q8o


Resolution: 3.20569845167→40.8871824422 Å / SU ML: 0.532213170031 / Cross valid method: FREE R-VALUE / σ(F): 1.33939212946 / Phase error: 46.3971880238
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.277675221528 422 4.62719298246 %
Rwork0.243714793741 8698 -
obs0.245402523018 9120 74.5280706055 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 155.453689959 Å2
Refinement stepCycle: LAST / Resolution: 3.20569845167→40.8871824422 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3585 0 70 0 3655
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003203784932893766
X-RAY DIFFRACTIONf_angle_d0.706896555845110
X-RAY DIFFRACTIONf_chiral_restr0.049221758055558
X-RAY DIFFRACTIONf_plane_restr0.00577661284634649
X-RAY DIFFRACTIONf_dihedral_angle_d14.99000544282265
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.2057-3.66930.422472889349590.3736164692971138X-RAY DIFFRACTION29.6213808463
3.6693-4.62190.3352546025431610.3006812541513694X-RAY DIFFRACTION95.0678175092
4.6219-40.880.2538672815762020.2167927869623866X-RAY DIFFRACTION98.2608695652
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)
11.80780306286-1.16156932781-0.3054952009134.156302392951.471676202555.51472935835-0.2767408242621.080345893443.38861564162-1.1751347271-0.246017013089-2.34097364596-0.2469461621080.928780975688-0.03208954643911.12968343571-0.1382203955430.05189741297921.373411960510.7445199872142.4756936504348.9401714956-5.78121484418.206587138
25.266054736154.5680193221-3.404026816965.05984396924-4.321268071923.913821815481.177425495783.67321830815-2.17056808267-3.31790229023-0.793820128866-4.675483242971.350260157172.726392676660.7461337206831.365485116770.3435747347050.7354812365921.578170507660.04070488562391.8827765210247.9214878569-16.64423685968.34534946236
34.65915641846-1.930266055872.911259071116.11084092808-0.8085926114848.17369267253-2.19144558772-1.247436991922.014876170781.95348522464-0.775638310203-1.01961878284-2.60391046522-0.9926526027631.803059641461.283445761980.131888493845-0.2983072321110.773746117726-0.1196978636841.3534682516123.4976984502-2.6592001055812.736905849
40.580650808745-0.8173143666460.8757405375421.66849905626-3.310822581637.99704018294-0.1787695692932.244706651980.15905253822-3.786239686780.1175021386130.7435332453461.147571565131.03316494671-0.5591125310961.49256438641-0.05933023975040.01477687710620.862476360714-0.4749274885521.4787744425634.4370477504-16.50414008653.37563855774
53.42448977027-5.61294027229-2.288818301379.705720784454.745239682053.24217553565-0.4325291874091.6177647678-1.90558960120.183417654084-0.87200640523-0.5084915473011.73131732829-0.392513104980.5830057190011.231594909480.1660791507830.2180609260711.074670077340.1107334279771.6165188906635.3400397419-16.399657176510.6178689151
62.07959961678-2.55888501272-1.651484337753.402352038431.181888712836.650309973751.197449632232.14626596598-0.192311888598-1.65048497931-0.7142926305920.4514496686210.957420611384-1.9598991255-0.5994789553091.26556638484-0.0152367812537-0.1166415900871.379258043580.1137602356621.1345135246330.8051046777-7.747034661944.62398191074
72.02547663277-4.287701568076.263456085734.22168653068-1.92948943484.09080251221-0.89418046472-0.2603717552942.33151139912-0.438752073088-0.0525972661623-2.53140712916-1.670668442250.01136373571850.3864413876010.9200150158150.2000980875910.4689008792570.939796749232-0.1126937859011.8184497358435.6578156551-1.673504785913.1657811223
83.55809678547-2.358594891192.974738073969.18549799231-6.230528312784.850393636320.8329463495320.386677447969-3.23641874440.588281415336-0.1054428346470.739355769772-0.0761478006852-0.147535900198-0.1555149298781.345921630520.386553020772-0.06949920309331.693761924480.4687487305641.8066383494551.2088888734-21.758372418120.1675546172
97.62982523209-1.63637610664-0.5301642560812.201826668571.164702653740.614431933106-1.99531064772.47515071744-0.7633459251040.3348303112221.53862838239-0.3313041467760.33651500673-1.174081277760.5797386265961.892754037210.5359221691530.1094489409922.59435776093-0.09805499048741.5589152997212.6286362197-25.4999138984-14.3167316105
102.017592361885.94705149464-4.194575599894.606520768481.027119738762.01577364273-0.7022191169910.648060435602-0.192320784926-1.283952043560.238350438490.486694349556-1.034539110390.4735556623380.3965904620912.22670725178-0.00387040766443-0.4873830071291.13237772391-0.01194446352631.7188837625813.3143593608-25.3039143186-6.08912663205
116.34691461954.39708194815-5.461148684253.76415599732-3.104835339555.1140691071-1.5552947502-0.414680527979-0.420546299723-0.663685990032-1.14606825707-1.025236822541.43610222704-0.6566848743231.818782946141.387147716770.1000432381560.1347872169051.1738611249-0.2104584807461.5604765551512.5300812685-19.1693965987-7.49015456503
126.90841231851-4.82068138333.019753450094.25040523585-0.04892896577636.20877164481-1.4393399311-0.0200255990060.6641529136623.447429489671.31383104336-0.3657005216580.8816023231151.070805216760.282786932251.399356237480.009492093904190.01081745699821.66657448465-0.05704075868811.1926913737616.8504726246-18.8522424122-1.66415271252
139.25354542546-2.2498676142-1.073571702174.05121948369-5.448699484459.73287084285-2.31277600036-0.9066273237930.479712447995-1.40294050514-1.005250483460.292406655521-0.154413584841-0.9742882633053.088711438261.74943730180.486892941112-0.3296490046911.25592708313-0.6678597714341.570319706845.81081218371-12.34838798581.53564117546
142.720283394450.7160620561780.7144579832454.49433434945-4.153838691934.50051232354-1.169125355891.75150703173-0.2840816377561.14317374577-0.8279018820261.21596682895-2.56467110547-0.008462227102021.187774041341.339740295820.125660733243-0.1598653142371.15128126492-0.2026774463191.3316873849219.1702626656-9.739203431861.26354821923
152.585892601710.192992002233.983904245575.10465962581-0.8717712235788.9196082529-1.711080913110.3904797853970.537889951847-0.9206317095930.779780168461.03454937216-3.4650928034-1.6855712880.6898196565922.054946866030.358150829935-0.3890358978471.44785207415-0.1859422430881.056644718131.80721031523-7.07937662785-8.23733425097
165.00684447442-2.04295224096-1.532162256353.964134345254.54879256055.340099415570.42957329935-0.01917707704170.615210180348-0.921393259492-0.2070268647320.187092059235-0.206502595201-0.1414384443480.3427118286453.06901741785-0.115513219977-0.5537665648432.19571641126-0.203197693881.17066470374-9.25398095341-6.12144986211-24.2057934396
174.986499545632.744968048396.434266982942.079622566452.162462608168.44049179157-0.05562689142372.437542703530.0776576134845-1.552189705610.2365602676850.01456001411880.043856061459-0.0608769042361-0.1112484454871.705571238940.413375027794-0.4227177240052.16663987827-0.4921896617981.26117606107-11.4871228515-5.70424562131-14.7125464494
182.341275252082.32857545118-3.878619058492.42227425794-3.955455112476.480214816-0.0677623223382-2.45452373841-1.423403394130.7177356259330.03720045859741.049182867990.45556914375-0.00390936040596-0.4739954982271.55434652790.2723282609410.04950767110011.228750115650.2780722639132.6358418214549.2011413688-20.595963037625.1752779802
192.58692898861.52275208963-0.7783950059472.146659875911.916568447735.51987863323-0.518831419489-0.484519724642-2.365987424712.183809665831.157736910121.275988711720.5467018865652.812408505450.3208568959131.099382170920.868618339215-0.6027986287611.535101191131.433114738483.0382964644949.2687760697-23.921218016129.5149220895
207.33590433852-2.83506152506-0.6214068970581.636461770771.625388511045.95221012627-1.76569612978-0.894538184112-0.620010278436-0.097217717572-0.511711770065-0.1933406384170.242462734270.927330534158-0.456819273111-0.354696978236-0.127378254898-2.933674199581.923712290150.9889994184820.95406822631646.7956946505-16.878443416635.2339916174
212.67162256263-0.573863006181-3.38967682934.98274012158-0.9607094946116.38044373662-1.041856155072.34660189903-2.10866121834-0.5757808556490.733639140039-1.244367922450.02239641804660.09410297975920.1461554436231.005349702230.2473510520650.144025624690.9321462546660.3043675676281.2444033696533.5831785393-20.817794780922.1959080542
229.140627204371.322625588964.604501562958.353463217060.4467539769448.116742971930.463258280209-2.300848546132.945479678262.57947953671-1.714230782782.73709464840.923131003197-0.9852581716751.231212689081.431952592910.2860492475990.3675082598750.740653321891-0.1844055329860.7904386557826.87083146-16.939382976930.5200720857
239.20141223435-0.735738532248-2.698762834697.390494233660.8227083065999.40310129478-0.5097357776230.3781959339080.8847657567640.8959052962470.2673772610330.03562083491360.6469054655790.7649717591440.2571995745411.16796187592-0.0346740406606-0.1151539159670.6977734366740.1169719975371.4103274015232.5465685147-12.514935358223.9467853314
242.829202268621.54360459542-0.5850631723825.034413120624.932073772196.91802539034-0.837979373605-2.165106048470.8565846283071.7662913923-1.75187973541-1.14036740531-0.3295763063682.023525669021.113161608741.197588427460.0233995466702-0.8345877622161.745953371860.125662773981.8718978364740.4366610099-11.893680064934.9349253861
253.570401738670.721415152235-3.510285101277.113028847020.7630085151883.818886044410.0756554675984-0.824122069138-2.006513288780.451267245598-1.724322708420.2348170195681.857271024760.9187302317161.714401404341.14913904177-0.420188411178-0.1882022416811.581624836750.2528350793241.6783261856629.5055472885-26.187891761727.5885967431
264.53154960495-0.0284904809421.101128638463.005025766291.360152988967.174186333621.486162439041.653498690133.593728526560.4116508723330.361196220307-0.6778304191140.7789264316850.5798388572861.17199297219-0.384274882253-1.241598092120.6247974645820.284256831742.118731479062.297848475949.0115562727-9.659665729119.3263337334
274.267119346790.7466968901880.5554323132756.2132212806-0.7490005994960.18972870615-0.370243786316-0.9359668158551.57817348736-0.1309077545460.09936649141160.175652772084-0.023858312805-0.0760937910228-0.01569485907554.704189223490.0610218777571-0.5083515269561.34120713347-1.409823033122.0360099805313.048731516-0.36280195882749.0120794086
280.303541895536-0.753098661176-0.2621950283124.14609056227-1.20168982511.791485058450.8079972765430.087354541644-0.1317085111440.7177677795150.255281244848-0.248892533864-0.4379117267630.295417852825-0.3889764447633.293986025690.04678806273421.68814303773-0.00654986023104-0.6646275739195.5377398800912.5743524127-1.4548425587839.9585696232
299.31897274942-3.37199578409-6.769660973923.50121490012-0.9857043752689.997077552391.06008395996-0.1349236272610.148426129438-0.325346852988-0.6915702600882.08318334303-0.9747249240570.673349257704-0.06392896786411.332978751640.109547856568-0.09714355174031.31344764260.0130672531211.4571158595811.7513746213-7.587196355343.0388478671
301.05656307630.2773820055031.253107589582.23535268496-1.050334362792.515568007020.595041147213.41055235419-0.3761679878441.47744537935-0.3364595936221.39791539114-0.5755883563340.06116285151070.1260508714831.26802264367-0.08320920619650.08141543679861.72636457115-0.1978304564951.721145275516.3648630209-8.8046415620336.5359445185
314.902955511265.49050201723-4.801502610779.88206055788-5.043209146874.78018117385-0.2422024663920.901683950073-0.264367560694-1.24101679025-0.2807138023740.428573636455-1.21019128619-3.28856666750.3168966008831.72191946899-0.2021671501370.03989232554141.8120282012-0.3741093657751.124692902745.32666274234-15.721843955734.8884122523
321.388584231750.1973341223532.095896103048.717816143923.32895466494.218935436021.22022145554-0.838907011281-0.7563870279291.318176530551.472378541970.6822676230392.55421394179-2.46661621563-1.605700336141.13287100640.05018513916760.3722048632791.558544488740.2231164549641.1275057441218.5819538793-17.771556715435.1942977449
336.075419207852.02349617527-3.706859094195.84915225029-3.897327617537.28373060661-1.11160392150.522768474424-0.1429740713770.4346268482780.415340783254-1.86603713927-0.11947632789-1.597749223460.6629933632741.362797117480.0850313478233-0.1076920666361.72872883094-0.1790112175191.220089760213.08030654809-19.188285598542.0652235511
341.12776361001-1.20364157496-0.4326735215761.399967837510.05386150327281.42888105293-0.493516722796-0.874212704084-0.8918921595961.56873492219-0.5800574203071.116271814750.8918593199280.09148535853510.6223193885161.54637267337-0.4220698289380.9454764189654.19232781984-2.365303811211.66094444685-4.11034191481-17.147419498560.36100617
352.33658776515-0.8672484627562.856346395224.84014006968-3.791630267335.159784455750.6781077656180.0880965735146-0.5894308124521.127480132111.270739995252.51043737957-0.581361036562-0.410955453420.1663058029990.393516975461-0.5626054135870.4471652137472.70354164476-1.368906719382.11442562918-12.0761367102-19.573793006457.8253385321
363.83688695303-0.206869535438-2.694447796935.49849667021-2.563162521394.76911625716-2.062717278641.54891995206-1.01311546464-2.242660920620.756948363573-0.370456531247-0.747793931372-2.021084760151.210790300381.44818471064-0.131175208303-0.0714222217411.74051680754-0.8602532501541.75823147396-8.61861281467-19.992930697250.5902875136
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'B' and (resid 50 through 80 )
2X-RAY DIFFRACTION2chain 'B' and (resid 81 through 92 )
3X-RAY DIFFRACTION3chain 'B' and (resid 93 through 109 )
4X-RAY DIFFRACTION4chain 'B' and (resid 110 through 117 )
5X-RAY DIFFRACTION5chain 'B' and (resid 118 through 143 )
6X-RAY DIFFRACTION6chain 'B' and (resid 144 through 153 )
7X-RAY DIFFRACTION7chain 'B' and (resid 154 through 161 )
8X-RAY DIFFRACTION8chain 'B' and (resid 162 through 173 )
9X-RAY DIFFRACTION9chain 'D' and (resid 29 through 36 )
10X-RAY DIFFRACTION10chain 'D' and (resid 37 through 46 )
11X-RAY DIFFRACTION11chain 'D' and (resid 47 through 66 )
12X-RAY DIFFRACTION12chain 'D' and (resid 67 through 76 )
13X-RAY DIFFRACTION13chain 'D' and (resid 77 through 88 )
14X-RAY DIFFRACTION14chain 'D' and (resid 89 through 96 )
15X-RAY DIFFRACTION15chain 'D' and (resid 97 through 124 )
16X-RAY DIFFRACTION16chain 'D' and (resid 125 through 129 )
17X-RAY DIFFRACTION17chain 'D' and (resid 130 through 145 )
18X-RAY DIFFRACTION18chain 'A' and (resid 50 through 57 )
19X-RAY DIFFRACTION19chain 'A' and (resid 58 through 72 )
20X-RAY DIFFRACTION20chain 'A' and (resid 73 through 86 )
21X-RAY DIFFRACTION21chain 'A' and (resid 87 through 102 )
22X-RAY DIFFRACTION22chain 'A' and (resid 103 through 117 )
23X-RAY DIFFRACTION23chain 'A' and (resid 118 through 138 )
24X-RAY DIFFRACTION24chain 'A' and (resid 139 through 147 )
25X-RAY DIFFRACTION25chain 'A' and (resid 148 through 159 )
26X-RAY DIFFRACTION26chain 'A' and (resid 160 through 173 )
27X-RAY DIFFRACTION27chain 'C' and (resid 29 through 36 )
28X-RAY DIFFRACTION28chain 'C' and (resid 37 through 45 )
29X-RAY DIFFRACTION29chain 'C' and (resid 46 through 66 )
30X-RAY DIFFRACTION30chain 'C' and (resid 67 through 76 )
31X-RAY DIFFRACTION31chain 'C' and (resid 77 through 88 )
32X-RAY DIFFRACTION32chain 'C' and (resid 89 through 96 )
33X-RAY DIFFRACTION33chain 'C' and (resid 97 through 119 )
34X-RAY DIFFRACTION34chain 'C' and (resid 120 through 125 )
35X-RAY DIFFRACTION35chain 'C' and (resid 126 through 131 )
36X-RAY DIFFRACTION36chain 'C' and (resid 132 through 143 )

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