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- PDB-6krz: Crystal structure of the human adiponectin receptor 1 D208A mutant -

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Basic information

Entry
Database: PDB / ID: 6krz
TitleCrystal structure of the human adiponectin receptor 1 D208A mutant
Components
  • Adiponectin receptor protein 1
  • The heavy chain variable domain (Antibody)
  • The light chain variable domain (Antibody)
KeywordsMEMBRANE PROTEIN/IMMUNE SYSTEM / membrane protein / MEMBRANE PROTEIN-IMMUNE SYSTEM complex
Function / homology
Function and homology information


adiponectin binding / adiponectin-activated signaling pathway / adipokinetic hormone receptor activity / AMPK inhibits chREBP transcriptional activation activity / leptin-mediated signaling pathway / negative regulation of epithelial cell migration / negative regulation of receptor signaling pathway via JAK-STAT / negative regulation of non-canonical NF-kappaB signal transduction / negative regulation of epithelial to mesenchymal transition / fatty acid oxidation ...adiponectin binding / adiponectin-activated signaling pathway / adipokinetic hormone receptor activity / AMPK inhibits chREBP transcriptional activation activity / leptin-mediated signaling pathway / negative regulation of epithelial cell migration / negative regulation of receptor signaling pathway via JAK-STAT / negative regulation of non-canonical NF-kappaB signal transduction / negative regulation of epithelial to mesenchymal transition / fatty acid oxidation / regulation of lipid metabolic process / regulation of glucose metabolic process / positive regulation of insulin receptor signaling pathway / hormone-mediated signaling pathway / positive regulation of receptor signaling pathway via JAK-STAT / negative regulation of cell growth / glucose homeostasis / signaling receptor activity / positive regulation of cold-induced thermogenesis / protein kinase binding / metal ion binding / identical protein binding / membrane / plasma membrane
Similarity search - Function
AdipoR/Haemolysin-III-related / Haemolysin-III related
Similarity search - Domain/homology
OLEIC ACID / (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate / PHOSPHATE ION / Adiponectin receptor protein 1
Similarity search - Component
Biological speciesHomo sapiens (human)
Mus musculus (house mouse)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 3.05 Å
AuthorsTanabe, H. / Fujii, Y. / Okada-Iwabu, M. / Iwabu, M. / Yamauchi, T. / Kadowaki, T. / Yokoyama, S.
Funding support Japan, 2items
OrganizationGrant numberCountry
Japan Agency for Medical Research and Development (AMED)JP17am010108 Japan
Ministry of Education, Culture, Sports, Science and Technology (Japan)16K18509 Japan
CitationJournal: Commun Biol / Year: 2020
Title: Human adiponectin receptor AdipoR1 assumes closed and open structures.
Authors: Tanabe, H. / Fujii, Y. / Okada-Iwabu, M. / Iwabu, M. / Kano, K. / Kawana, H. / Hato, M. / Nakamura, Y. / Terada, T. / Kimura-Someya, T. / Shirouzu, M. / Kawano, Y. / Yamamoto, M. / Aoki, J. ...Authors: Tanabe, H. / Fujii, Y. / Okada-Iwabu, M. / Iwabu, M. / Kano, K. / Kawana, H. / Hato, M. / Nakamura, Y. / Terada, T. / Kimura-Someya, T. / Shirouzu, M. / Kawano, Y. / Yamamoto, M. / Aoki, J. / Yamauchi, T. / Kadowaki, T. / Yokoyama, S.
History
DepositionAug 22, 2019Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Aug 19, 2020Provider: repository / Type: Initial release
Revision 1.1Sep 16, 2020Group: 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
Revision 1.2Nov 22, 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
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.3Nov 20, 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: Adiponectin receptor protein 1
B: Adiponectin receptor protein 1
C: Adiponectin receptor protein 1
D: The heavy chain variable domain (Antibody)
E: The light chain variable domain (Antibody)
F: The heavy chain variable domain (Antibody)
G: The light chain variable domain (Antibody)
H: The heavy chain variable domain (Antibody)
I: The light chain variable domain (Antibody)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)181,17519
Polymers179,4169
Non-polymers1,75910
Water1,60389
1
A: Adiponectin receptor protein 1
D: The heavy chain variable domain (Antibody)
E: The light chain variable domain (Antibody)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)60,5317
Polymers59,8053
Non-polymers7254
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Adiponectin receptor protein 1
F: The heavy chain variable domain (Antibody)
G: The light chain variable domain (Antibody)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)59,9665
Polymers59,8053
Non-polymers1602
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Adiponectin receptor protein 1
H: The heavy chain variable domain (Antibody)
I: The light chain variable domain (Antibody)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)60,6797
Polymers59,8053
Non-polymers8734
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)104.589, 119.350, 197.814
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab

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Components

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Protein , 1 types, 3 molecules ABC

#1: Protein Adiponectin receptor protein 1 / Progestin and adipoQ receptor family member 1 / Progestin and adipoQ receptor family member I


Mass: 34996.789 Da / Num. of mol.: 3 / Mutation: D208A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ADIPOR1, PAQR1, TESBP1A, CGI-45 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: Q96A54

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Antibody , 2 types, 6 molecules DFHEGI

#2: Antibody The heavy chain variable domain (Antibody)


Mass: 13160.635 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Production host: Escherichia coli (E. coli)
#3: Antibody The light chain variable domain (Antibody)


Mass: 11647.850 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Production host: Escherichia coli (E. coli)

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Non-polymers , 5 types, 99 molecules

#4: Chemical ChemComp-PO4 / PHOSPHATE ION


Mass: 94.971 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: PO4
#5: Chemical ChemComp-OLA / OLEIC ACID


Mass: 282.461 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C18H34O2
#6: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Zn
#7: Chemical ChemComp-OLB / (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate


Mass: 356.540 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C21H40O4
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 89 / 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: 3.44 Å3/Da / Density % sol: 64.25 %
Crystal growTemperature: 293 K / Method: lipidic cubic phase / pH: 7.5 / Details: PEG 400, tris, lithium acetate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SPring-8 / Beamline: BL32XU / Wavelength: 1 Å
DetectorType: RAYONIX MX-225 / Detector: CCD / Date: Feb 15, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.048→47.9 Å / Num. obs: 47972 / % possible obs: 99.8 % / Redundancy: 6.1 % / Biso Wilson estimate: 70.01 Å2 / CC1/2: 0.992 / Rmerge(I) obs: 0.26 / Rpim(I) all: 0.114 / Rrim(I) all: 0.284 / Net I/σ(I): 7
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) all% possible all
3.048-3.236.21.49475730.5150.6511.63199
9.14-47.95.50.04219430.9980.020.04799.2

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
PHENIX1.16_3549+SVNrefinement
Aimless0.5.32data scaling
PHASERphasing
PDB_EXTRACT3.24data extraction
XDSdata reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3WXV

3wxv
PDB Unreleased entry


Resolution: 3.05→47.9 Å / SU ML: 0.428 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 28.0443
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2731 1999 4.17 %
Rwork0.2158 45886 -
obs0.2182 47885 99.76 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 74.8 Å2
Refinement stepCycle: LAST / Resolution: 3.05→47.9 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12111 0 101 89 12301
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.001912580
X-RAY DIFFRACTIONf_angle_d0.430517061
X-RAY DIFFRACTIONf_chiral_restr0.03821814
X-RAY DIFFRACTIONf_plane_restr0.00322132
X-RAY DIFFRACTIONf_dihedral_angle_d3.16367162
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.05-3.120.37771370.3273148X-RAY DIFFRACTION97.36
3.12-3.210.39411400.29993224X-RAY DIFFRACTION99.97
3.21-3.30.35331420.28543269X-RAY DIFFRACTION100
3.3-3.410.29511410.27383228X-RAY DIFFRACTION100
3.41-3.530.31291420.26473257X-RAY DIFFRACTION100
3.53-3.670.30481420.24233247X-RAY DIFFRACTION99.97
3.67-3.840.2721410.22523255X-RAY DIFFRACTION99.91
3.84-4.040.30021420.20983243X-RAY DIFFRACTION99.97
4.04-4.30.24481430.19843296X-RAY DIFFRACTION99.97
4.3-4.630.24151420.1873267X-RAY DIFFRACTION100
4.63-5.090.2251430.17723288X-RAY DIFFRACTION99.94
5.09-5.830.26021460.19593320X-RAY DIFFRACTION99.88
5.83-7.340.27991450.20733348X-RAY DIFFRACTION99.97
7.34-47.90.24011530.18843496X-RAY DIFFRACTION99.73
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)
14.90059714276-1.200383601656.553790686743.83779719514-0.9615430650368.774496701510.482494989416-0.370005063773-0.1595466647850.13396548169-0.5364920789620.8201954024930.277188924346-0.191864541793-0.06066657104860.9489733005310.130237060670.05456635797530.5072972047910.02194184610860.364737107911-38.5652808455-25.04871357454.9305212422
28.59627977951-1.515875017893.147221989614.45803663359-5.524972648047.11195059268-0.0574159908891-1.631662174660.5173207125430.2777407716890.685216069545-0.3445408688750.3585721152350.2821690360010.08744155597890.5030030804630.08139875230720.004456571399790.725879587049-0.1525582080460.694181897465-43.6908829197-23.578073542841.2988111834
36.279955725370.0317522468743-0.7745675509162.972693125242.435705741312.236500389590.04814986446820.0447281370472-0.2923887001480.3748810514240.2119468054850.907489209597-1.473082891-0.372141537227-0.01474348141770.9345655852140.04708354720620.0322650095660.4393621585180.0439918433220.304686351003-29.4108728769-20.538613680849.612934249
47.472509936694.11978411631.334950449228.246881160411.2603171074.454371233440.100693826930.252291157971-0.999498376197-0.4053610285510.413712900486-1.33777979599-0.9469849397420.377012654476-0.3385308432120.7649524892660.009757693598130.04020380845330.477181594401-0.01880919628020.370997761129-25.6082696863-20.5642936548.784595971
50.0232765267888-0.03595140796660.03806834861730.0250499193671-0.03575696072760.0149102235680.3590657878290.753869509216-0.7229917424370.328799174762-0.2134800672470.5756670231870.8784531080650.579429359851-0.3562843296081.032778623180.124808560779-0.04514933932730.483437745636-0.1515457765860.630000294544-32.3811325362-31.425209107842.4414986819
66.60918474652-2.13560525674-3.800109919088.05926962468-0.3785297682068.20581879498-1.444186158480.772777562005-0.6472789018951.019706621961.01004690905-0.6185492268690.494368113080.3459891402530.4734906833890.772492520889-0.0261318498395-0.02842668269980.487641186586-0.10028048330.36100837772-25.9915003472-30.020743523850.2886378641
78.22774563344-2.569152156685.660060767918.609202324772.04437403175.93579948855-0.515671207523-0.232885784804-0.01313738859450.63049976491-0.1281813388440.759932856105-0.771310912444-0.7713776060610.1609929923790.482838216612-0.08186283591190.1535574985750.595979646236-0.04080985530880.525371023765-38.3264225039-29.303661235552.2854928696
89.71745279461-2.715817284013.868291933791.555373632570.1153041660574.69941299466-0.9205340168510.891608728187-0.08728665309222.046093751042.11150572877-3.22939934064-0.1299973003560.934742815405-0.2092562190320.936351554412-0.118905445193-0.2067613428820.621056872326-0.1119101713020.83798032691-20.8147488307-26.386412883561.6163844841
97.832185798040.3053983320972.172366665191.492303638150.3479764130474.228891849630.176681242078-0.3547164759130.9215882169160.821058786146-0.2369103959060.23766400897-0.069494052411-0.141783510854-0.05359334273850.642174317635-0.0003178111227120.002491112190630.382354359061-0.04930667000930.492507249972-33.6790418232-16.903377651246.5872001234
104.681693676352.03493277753-1.370506499736.10865717069-3.046982232566.1723301589-0.2498031844831.43939503328-0.1985066384141.728678483570.1698179640061.81800976143-0.275725784322.167445322140.2038498056331.156673472250.0167420768717-0.05287483942290.568204165093-0.1905770074690.560334572585-26.3323749428-21.625572869866.473051188
111.00245384672-1.7727294650.8919809148396.84541353323-7.593109446232.000212373630.509095189426-1.40921451923-0.464778892719-0.363497329619-1.048237918750.5147203708591.969264952361.78014089158-0.568631696690.626159476211-0.107855531947-0.1773468866520.707037804637-0.01649712799910.865783927607-15.5940637479-13.539073066641.5007847547
126.09713490468-6.907992336465.317740834457.81173684218-6.029695275174.61162091242-0.7887943815290.798848134992.273609795130.3383059540040.442253822187-2.74357339407-1.73287748516-0.0896442699294-0.06444602062950.7880281528610.02382194264240.1500820735770.3957780913840.1870870166881.29351738611-18.70450101674.0370340399847.8027243409
135.18400054911-6.54110880086-3.945767716538.643946485985.099414534493.98867557234-0.8517957792210.1495471668291.401652536130.1468145764631.55833257463-0.710992885596-0.7878875283621.34663868907-0.4576725251120.5255978398540.00578427044642-0.1471953426150.4435048545080.1494014593470.852743446329-20.90271617412.0904028561140.8061863574
144.064918791971.48527554232-0.6877555909762.458504700791.101203063292.65889403201-0.6373625672250.0767057951025-0.2713528755670.2372515848050.341402449303-0.32066918149-0.494070540130.4907239980560.05666982312090.672642176976-0.0006207355448480.03853493973690.4276292496930.04237608929680.445415168055-23.9318267611-10.953436353737.5872006465
152.308374421640.4650509335251.207416677922.14211682733-0.7152045554373.92555099352-0.2795827432090.04178791576870.3713067967120.254325584615-0.473766138695-0.202591584656-0.392683485761-0.6806193272450.2154195509150.7011566827310.1307589001930.0302648387120.3436436906570.04786153816660.657207201641-33.2972202635-5.0426074018842.1933229149
163.33853486521-2.46989226273-2.34065390046.11026147957-3.28350904117.81059398640.188485030788-0.2368198025280.803865517618-0.986964726534-0.1109902947650.162829820284-0.932873708621-0.00777632220974-0.2148049294360.908527391227-0.0315675017833-0.1407007659310.373369713691-0.06014668115430.759439181419-23.0760275667-2.6178252150435.0410903139
176.57135028633-4.211541510682.071556138054.13693104746-1.130988598442.24861172623-1.22397513179-2.372373907461.667382397911.281044210420.6492735787240.275513231513-0.329770258781-0.5492104413380.2649041168870.7979193315440.1307315879390.06067386837150.663280555387-0.1056755020271.09100117233-31.06370929386.5819036070647.3546539214
184.34088390984-4.842919214932.184897888196.09766683057-2.512341853731.167716986910.09756754344570.627210694220.6722742992030.4644649115210.1121470891950.281613342715-0.4781563873450.136208706147-0.1461816246790.6440244901620.005227560015620.1910535848730.443108755216-0.0047009757180.703367116284-24.2513433187-8.2742264051345.100320125
195.96876449202-1.761489986514.051215152911.12907998278-0.3491423581344.63840975233-0.0322469759937-0.325937352765-0.0390519224858-0.300597418260.105870047648-0.0708324952975-1.46601603638-1.18614719547-0.3199208538920.5072595389350.0101353645674-0.07873200311850.3308580093420.07603619690220.558839714064-22.0221771623-17.764752884439.8994614807
206.43729879933-3.4057666915-0.296133930383.02733235612-1.848873591533.15625438083-1.03457031668-1.861287419610.2367790922761.732348479191.151383005081.089267852110.245410872091.24369121625-0.1316633254840.865281726648-0.00307334679437-0.1982019866940.469370565085-0.05737112500810.603909630678-22.98223991744.2163794174451.9160201753
214.632206583862.65414615659-6.114123343182.70039603166-2.430107816538.85124468141-1.006393835740.196481304971-0.146357679774-1.110078662430.359837005144-0.3576099861710.861192373207-0.2459755306530.6419588572750.6040675983580.0763650664406-0.0427869792790.365716042070.1124088466750.579974868225-1.42216512661-26.419898429246.7549870463
224.908310587383.57847776861-5.523047603996.70376834874-1.943988177377.59036078574-1.005505108580.4740593151160.336172482093-1.407680615420.6202604321850.612556986880.507803523836-0.5998516881270.404904090820.5999154286390.0245197081079-0.04092494435360.4382027359120.04038349599660.512721677987-4.94519184264-24.386241627952.6515050462
232.662617898850.555410266844.004735612447.43697114386-1.71012511748.11255538017-0.336850115565-0.813187130421-1.577710539751.175376938660.5617528928211.059022893530.143715631586-0.776387389282-0.4029958683460.881187687414-0.1327939833950.2464532306780.4558341836910.103230352350.86225288307-8.40040704685-28.795531627765.926414716
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713.97843059993-6.111809745362.396365794379.62695280819-3.891144865357.901510972040.2519632877860.181269751077-0.402294709838-0.888525429620.2484214885450.6711308798911.43406533350.250414146185-0.3707583966430.472366166323-0.118596624820.02357041977930.574116138997-0.03234099367030.469791723746-33.0690746488-58.614680166758.8379802874
724.16733693413-4.590105009810.4626401716558.197302184012.76888130663.461780869-0.09219774009530.5069525296320.208640093783-1.6966573193-1.718886240320.09907857820290.424012955511-0.1856722049171.75028771670.636348982662-0.08960982777930.03711977451870.82954212940.03478267006350.466230438117-41.0044558607-50.331649273748.4144332584
738.85504187856-0.891305253204-0.7056105393079.63210389805-6.910554246515.10849013194-0.4030979100460.049168384192-0.309530391395-0.1188353644550.756977086720.3731267557250.170247790496-0.983756343769-0.3524797717670.755102562227-0.07508816663440.1361137735320.527012401002-0.0354779459840.466564115718-42.9272490836-56.025731020257.6802710511
746.38368314322.03193360112-1.696770743462.44287859942-3.389455455916.683850172510.30095467668-0.395102731032-0.1984282541280.8097601437060.4686484375061.78033900615-0.359111772001-0.293688924455-0.7832884327850.5744828838960.092388577740.08067580311910.5214342196670.04080739694120.510399732892-40.2012899206-51.814638225263.6963985401
755.319621785460.566984234707-2.286307910426.04245465121-2.815520290859.202026985640.243645527809-0.2756038291110.3779686888920.662986427752-0.19933265927-0.203671969724-1.359745472560.3233644647180.05814137779910.4952970917270.0534711208968-0.02345188868070.29127458361-0.01706852258770.325988933965-27.5649750735-52.864698645754.9870135158
768.11293052085-1.599291012042.444140240771.32509451859-2.471688423374.765825825260.9965204431271.156350283140.04011111835642.23313968866-0.3294934107490.2040932500261.552138776780.0597035475683-0.344600294781.2289527541-0.3124895027890.09766711294940.264053773819-0.0270195752290.56933988352-35.749767938-55.976782978875.0466071513
779.26436131292-2.541241544894.35179780725.203382867464.038545684258.05017702316-0.508803074417-1.3334779948-1.587352674661.6404190003-0.5782230789521.266355065130.580196809575-1.108047648570.02960398131160.969012249259-0.2511309959080.07264282085010.4369834015890.2114959520530.870967664978-29.6212471555-71.663694888551.948469292
783.96079942284-0.197013506855-5.061268472516.41811177049-2.715668680877.95351426910.186608874519-2.085170833480.267754440474-0.692888427607-0.19483566439-1.034648623190.908771706014-0.3904463780250.2764041424930.626713151350.0074538084387-0.2144867575020.5011715784590.01591232232270.483695973029-13.0700339015-73.114878701661.045248203
793.489139006520.155988564253-1.360252269324.977409364052.056342666921.43877018316-0.2826382768310.365788780332-0.704805814962-0.5746121770250.278536111842-0.294747467788-0.1766711244630.140409843781-0.0195253294930.75696979184-0.08092910848270.004457587986730.2790463860490.03310632067520.543098041152-18.9709305272-70.194207711348.8413362518
806.26974683064-1.78068160643-2.339592009669.00144086909-0.8781000002093.992590674830.148768230699-0.1601655687790.09674914081570.222843664506-0.0792465667248-0.337193858043-0.2673884106330.0193292362048-0.1042693750680.4422381260140.0207956179742-0.04970648265030.346010922699-0.01013479655560.346984734809-16.8533452179-58.529956702753.1175460753
812.044054244428.750719836645.019346359458.325591692934.134941214864.85932962714-0.2690737099950.113647733156-2.62129088876-0.792982195690.270536578701-1.483116687552.385790624780.0884485094339-0.5339179697170.668338277248-0.0346093236099-0.1714795138260.439058124001-0.03029662408040.603548193487-16.0032329683-68.700420355746.9804709919
829.69568328705-2.238464496554.87734187316.035996013311.880824962394.492153156520.132228217536-0.532148736466-0.450178830580.03506190670630.303985128553-0.703597747311-0.3837106335360.0507156100337-0.4108455295880.741194683183-0.07487053903810.1074348898490.36013914061-0.00221022918740.469745656059-13.8235744038-63.511577316157.9096602428
834.21672298120.356475537115-2.842846703734.11983920207-3.194432545183.94652997192-0.1883297526950.566634020989-0.839818231018-0.5684887794820.6814041036490.724422099353-0.00848316135564-1.29590702232-0.2915349562340.510918712961-0.108167580992-0.1417775985210.45049873571-0.08398815798260.524339821131-31.1877767732-64.429032993649.3380747038
849.04668963777-7.30932963104-5.109582368587.363956851573.122629591493.79078806265-0.163433131917-2.363360412131.067067567432.705829223390.38217190494-2.010161732741.57164509320.469770452646-0.4763791969551.14976544214-0.113798308442-0.4111973979260.275525681460.01522557833130.65217861161-11.8527207642-68.77350487464.7651263954
856.948767700341.759335676183.276225019672.055965521772.945685265845.845161312550.304530491029-1.415548481680.2209580158250.77505880606-0.002829878607960.03741076066650.561947275063-1.015953302850.06563779378410.744679570584-0.02016037692050.09228381099620.5241634641140.08514415021450.471156021318-34.8567530298-22.090370806959.9565283047
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'F' and (resid 18 through 25 )
2X-RAY DIFFRACTION2chain 'F' and (resid 26 through 32 )
3X-RAY DIFFRACTION3chain 'F' and (resid 33 through 40 )
4X-RAY DIFFRACTION4chain 'F' and (resid 41 through 52 )
5X-RAY DIFFRACTION5chain 'F' and (resid 53 through 60 )
6X-RAY DIFFRACTION6chain 'F' and (resid 61 through 73 )
7X-RAY DIFFRACTION7chain 'F' and (resid 74 through 83 )
8X-RAY DIFFRACTION8chain 'F' and (resid 84 through 91 )
9X-RAY DIFFRACTION9chain 'F' and (resid 92 through 111 )
10X-RAY DIFFRACTION10chain 'F' and (resid 112 through 119 )
11X-RAY DIFFRACTION11chain 'G' and (resid 1 through 6 )
12X-RAY DIFFRACTION12chain 'G' and (resid 7 through 14 )
13X-RAY DIFFRACTION13chain 'G' and (resid 15 through 25 )
14X-RAY DIFFRACTION14chain 'G' and (resid 26 through 38 )
15X-RAY DIFFRACTION15chain 'G' and (resid 39 through 61 )
16X-RAY DIFFRACTION16chain 'G' and (resid 62 through 75 )
17X-RAY DIFFRACTION17chain 'G' and (resid 76 through 83 )
18X-RAY DIFFRACTION18chain 'G' and (resid 84 through 90 )
19X-RAY DIFFRACTION19chain 'G' and (resid 91 through 101 )
20X-RAY DIFFRACTION20chain 'G' and (resid 102 through 107 )
21X-RAY DIFFRACTION21chain 'H' and (resid 1 through 17 )
22X-RAY DIFFRACTION22chain 'H' and (resid 18 through 25 )
23X-RAY DIFFRACTION23chain 'H' and (resid 26 through 33 )
24X-RAY DIFFRACTION24chain 'H' and (resid 34 through 40 )
25X-RAY DIFFRACTION25chain 'H' and (resid 41 through 51 )
26X-RAY DIFFRACTION26chain 'H' and (resid 52 through 60 )
27X-RAY DIFFRACTION27chain 'H' and (resid 61 through 73 )
28X-RAY DIFFRACTION28chain 'H' and (resid 74 through 83 )
29X-RAY DIFFRACTION29chain 'H' and (resid 84 through 91 )
30X-RAY DIFFRACTION30chain 'H' and (resid 92 through 98 )
31X-RAY DIFFRACTION31chain 'H' and (resid 99 through 111 )
32X-RAY DIFFRACTION32chain 'H' and (resid 112 through 119 )
33X-RAY DIFFRACTION33chain 'I' and (resid 1 through 6 )
34X-RAY DIFFRACTION34chain 'I' and (resid 7 through 14 )
35X-RAY DIFFRACTION35chain 'I' and (resid 15 through 25 )
36X-RAY DIFFRACTION36chain 'I' and (resid 26 through 38 )
37X-RAY DIFFRACTION37chain 'I' and (resid 39 through 48 )
38X-RAY DIFFRACTION38chain 'I' and (resid 49 through 61 )
39X-RAY DIFFRACTION39chain 'I' and (resid 62 through 75 )
40X-RAY DIFFRACTION40chain 'I' and (resid 76 through 90 )
41X-RAY DIFFRACTION41chain 'I' and (resid 91 through 101 )
42X-RAY DIFFRACTION42chain 'I' and (resid 102 through 107 )
43X-RAY DIFFRACTION43chain 'A' and (resid 0 through 104 )
44X-RAY DIFFRACTION44chain 'A' and (resid 105 through 120 )
45X-RAY DIFFRACTION45chain 'A' and (resid 121 through 134 )
46X-RAY DIFFRACTION46chain 'A' and (resid 135 through 165 )
47X-RAY DIFFRACTION47chain 'A' and (resid 166 through 227 )
48X-RAY DIFFRACTION48chain 'A' and (resid 228 through 260 )
49X-RAY DIFFRACTION49chain 'A' and (resid 261 through 288 )
50X-RAY DIFFRACTION50chain 'A' and (resid 289 through 300 )
51X-RAY DIFFRACTION51chain 'A' and (resid 301 through 319 )
52X-RAY DIFFRACTION52chain 'A' and (resid 320 through 335 )
53X-RAY DIFFRACTION53chain 'A' and (resid 336 through 360 )
54X-RAY DIFFRACTION54chain 'A' and (resid 361 through 371 )
55X-RAY DIFFRACTION55chain 'B' and (resid 0 through 104 )
56X-RAY DIFFRACTION56chain 'B' and (resid 105 through 165 )
57X-RAY DIFFRACTION57chain 'B' and (resid 166 through 227 )
58X-RAY DIFFRACTION58chain 'B' and (resid 228 through 260 )
59X-RAY DIFFRACTION59chain 'B' and (resid 261 through 299 )
60X-RAY DIFFRACTION60chain 'B' and (resid 300 through 319 )
61X-RAY DIFFRACTION61chain 'B' and (resid 320 through 335 )
62X-RAY DIFFRACTION62chain 'B' and (resid 336 through 369 )
63X-RAY DIFFRACTION63chain 'C' and (resid 0 through 132 )
64X-RAY DIFFRACTION64chain 'C' and (resid 133 through 227 )
65X-RAY DIFFRACTION65chain 'C' and (resid 228 through 254 )
66X-RAY DIFFRACTION66chain 'C' and (resid 255 through 277 )
67X-RAY DIFFRACTION67chain 'C' and (resid 278 through 335 )
68X-RAY DIFFRACTION68chain 'C' and (resid 336 through 369 )
69X-RAY DIFFRACTION69chain 'D' and (resid 1 through 25 )
70X-RAY DIFFRACTION70chain 'D' and (resid 26 through 33 )
71X-RAY DIFFRACTION71chain 'D' and (resid 34 through 51 )
72X-RAY DIFFRACTION72chain 'D' and (resid 52 through 60 )
73X-RAY DIFFRACTION73chain 'D' and (resid 61 through 73 )
74X-RAY DIFFRACTION74chain 'D' and (resid 74 through 91 )
75X-RAY DIFFRACTION75chain 'D' and (resid 92 through 111 )
76X-RAY DIFFRACTION76chain 'D' and (resid 112 through 119 )
77X-RAY DIFFRACTION77chain 'E' and (resid 1 through 6 )
78X-RAY DIFFRACTION78chain 'E' and (resid 7 through 14 )
79X-RAY DIFFRACTION79chain 'E' and (resid 15 through 32 )
80X-RAY DIFFRACTION80chain 'E' and (resid 33 through 61 )
81X-RAY DIFFRACTION81chain 'E' and (resid 62 through 75 )
82X-RAY DIFFRACTION82chain 'E' and (resid 76 through 90 )
83X-RAY DIFFRACTION83chain 'E' and (resid 91 through 101 )
84X-RAY DIFFRACTION84chain 'E' and (resid 102 through 107 )
85X-RAY DIFFRACTION85chain 'F' and (resid 1 through 17 )

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