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

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Open data

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Basic information

Entry

Database: PDB / ID: 6krz

Title

Crystal 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)

Keywords

MEMBRANE PROTEIN/IMMUNE SYSTEM /

membrane protein /

MEMBRANE PROTEIN-IMMUNE SYSTEM complex

Function / homology

Function and homology information

adiponectin binding / adipokinetic hormone receptor activity / adiponectin-activated signaling pathway / 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 epithelial to mesenchymal transition / negative regulation of non-canonical NF-kappaB signal transduction /

fatty acid oxidation ...
Similarity search - Function

Biological species

Homo sapiens (human)

Mus musculus (house mouse)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 3.05 Å

Authors

Tanabe, H. / Fujii, Y. / Okada-Iwabu, M. / Iwabu, M. / Yamauchi, T. / Kadowaki, T. / Yokoyama, S.

Funding support

Japan, 2items

Citation

Journal: 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. ...

History

Deposition	Aug 22, 2019	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Aug 19, 2020	Provider: repository / Type: Initial release
Revision 1.1	Sep 16, 2020	Group: 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 1.2	Nov 22, 2023	Group: 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

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Structure visualization

Structure viewer	Molecule: MolmilJmol/JSmol

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Downloads & links

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Download

PDBx/mmCIF format	6krz.cif.gz	758.4 KB	Display	PDBx/mmCIF format
PDB format	pdb6krz.ent.gz	528.2 KB	Display	PDB format
PDBx/mmJSON format	6krz.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/kr/6krz ftp://data.pdbj.org/pub/pdb/validation_reports/kr/6krz	HTTPS FTP

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Related structure data

Related structure data	6ks0C 6ks1C 3wxv PDB Unreleased entryS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	5lwy-d 5lx9-d 5lxg-d 3zup-d 5lxa-d 1tzp-d 2hsz-d 6ks1-d 6ks0-d 7c05-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

6ks0C

6ks1C

3wxv
PDB Unreleased entryS

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1) #164 - Aug 2013 Serotonin Receptor similarity (2) #217 - Jan 2018 Opioid Receptors similarity (2) #155 - Nov 2012 Vitamin D Receptor similarity (1) #199 - Jul 2016 Monellin similarity (1)

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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

181 kDa, 9 polymers
Search similar-shape structures of this assembly by Omokage search (details)

A: Adiponectin receptor protein 1

D: The heavy chain variable domain (Antibody)

E: The light chain variable domain (Antibody)

hetero molecules

defined by author
Evidence: gel filtration
60.5 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

B: Adiponectin receptor protein 1

F: The heavy chain variable domain (Antibody)

G: The light chain variable domain (Antibody)

hetero molecules

defined by author
60 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

C: Adiponectin receptor protein 1

H: The heavy chain variable domain (Antibody)

I: The light chain variable domain (Antibody)

hetero molecules

defined by author
60.7 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

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 number	19
Space group name H-M	P2₁2₁2₁
Space group name Hall	P2ac2ab

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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

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

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Experimental details

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 3.44 Å³/Da / Density % sol: 64.25 %
Crystal grow	Temperature: 293 K / Method: lipidic cubic phase / pH: 7.5 / Details: PEG 400, tris, lithium acetate

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

SPring-8

/ Beamline: BL32XU / Wavelength: 1 Å

Detector

Type: RAYONIX MX-225 / Detector: CCD / Date: Feb 15, 2015

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 1 Å / Relative weight: 1

Reflection

Resolution: 3.048→47.9 Å / Num. obs: 47972 / % possible obs: 99.8 % / Redundancy: 6.1 % / B_iso Wilson estimate: 70.01 Å² / CC_1/2: 0.992 / R_merge(I) obs: 0.26 / R_pim(I) all: 0.114 / R_rim(I) all: 0.284 / Net I/σ(I): 7

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	% possible all
3.048-3.23	6.2	1.494	7573	0.515	0.651	1.631	99
9.14-47.9	5.5	0.042	1943	0.998	0.02	0.047	99.2

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
PHENIX	1.16_3549+SVN	refinement
Aimless	0.5.32	data scaling
PHASER		phasing
PDB_EXTRACT	3.24	data extraction
XDS		data reduction

Refinement

Method 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

	R_factor	Num. reflection	% reflection
R_free	0.2731	1999	4.17 %
R_work	0.2158	45886	-
obs	0.2182	47885	99.76 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 74.8 Å²

Refinement step

Cycle: LAST / Resolution: 3.05→47.9 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12111	0	101	89	12301

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0019	12580
X-RAY DIFFRACTION	f_angle_d	0.4305	17061
X-RAY DIFFRACTION	f_chiral_restr	0.0382	1814
X-RAY DIFFRACTION	f_plane_restr	0.0032	2132
X-RAY DIFFRACTION	f_dihedral_angle_d	3.1636	7162

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
3.05-3.12	0.3777	137	0.327	3148	X-RAY DIFFRACTION	97.36
3.12-3.21	0.3941	140	0.2999	3224	X-RAY DIFFRACTION	99.97
3.21-3.3	0.3533	142	0.2854	3269	X-RAY DIFFRACTION	100
3.3-3.41	0.2951	141	0.2738	3228	X-RAY DIFFRACTION	100
3.41-3.53	0.3129	142	0.2647	3257	X-RAY DIFFRACTION	100
3.53-3.67	0.3048	142	0.2423	3247	X-RAY DIFFRACTION	99.97
3.67-3.84	0.272	141	0.2252	3255	X-RAY DIFFRACTION	99.91
3.84-4.04	0.3002	142	0.2098	3243	X-RAY DIFFRACTION	99.97
4.04-4.3	0.2448	143	0.1984	3296	X-RAY DIFFRACTION	99.97
4.3-4.63	0.2415	142	0.187	3267	X-RAY DIFFRACTION	100
4.63-5.09	0.225	143	0.1772	3288	X-RAY DIFFRACTION	99.94
5.09-5.83	0.2602	146	0.1959	3320	X-RAY DIFFRACTION	99.88
5.83-7.34	0.2799	145	0.2073	3348	X-RAY DIFFRACTION	99.97
7.34-47.9	0.2401	153	0.1884	3496	X-RAY DIFFRACTION	99.73

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°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)
1	4.90059714276	-1.20038360165	6.55379068674	3.83779719514	-0.961543065036	8.77449670151	0.482494989416	-0.370005063773	-0.159546664785	0.13396548169	-0.536492078962	0.820195402493	0.277188924346	-0.191864541793	-0.0606665710486	0.948973300531	0.13023706067	0.0545663579753	0.507297204791	0.0219418461086	0.364737107911	-38.5652808455	-25.048713574	54.9305212422
2	8.59627977951	-1.51587501789	3.14722198961	4.45803663359	-5.52497264804	7.11195059268	-0.0574159908891	-1.63166217466	0.517320712543	0.277740771689	0.685216069545	-0.344540868875	0.358572115235	0.282169036001	0.0874415559789	0.503003080463	0.0813987523072	0.00445657139979	0.725879587049	-0.152558208046	0.694181897465	-43.6908829197	-23.5780735428	41.2988111834
3	6.27995572537	0.0317522468743	-0.774567550916	2.97269312524	2.43570574131	2.23650038959	0.0481498644682	0.0447281370472	-0.292388700148	0.374881051424	0.211946805485	0.907489209597	-1.473082891	-0.372141537227	-0.0147434814177	0.934565585214	0.0470835472062	0.032265009566	0.439362158518	0.043991843322	0.304686351003	-29.4108728769	-20.5386136808	49.612934249
4	7.47250993669	4.1197841163	1.33495044922	8.24688116041	1.260317107	4.45437123344	0.10069382693	0.252291157971	-0.999498376197	-0.405361028551	0.413712900486	-1.33777979599	-0.946984939742	0.377012654476	-0.338530843212	0.764952489266	0.00975769359813	0.0402038084533	0.477181594401	-0.0188091962802	0.370997761129	-25.6082696863	-20.56429365	48.784595971
5	0.0232765267888	-0.0359514079666	0.0380683486173	0.0250499193671	-0.0357569607276	0.014910223568	0.359065787829	0.753869509216	-0.722991742437	0.328799174762	-0.213480067247	0.575667023187	0.878453108065	0.579429359851	-0.356284329608	1.03277862318	0.124808560779	-0.0451493393273	0.483437745636	-0.151545776586	0.630000294544	-32.3811325362	-31.4252091078	42.4414986819
6	6.60918474652	-2.13560525674	-3.80010991908	8.05926962468	-0.378529768206	8.20581879498	-1.44418615848	0.772777562005	-0.647278901895	1.01970662196	1.01004690905	-0.618549226869	0.49436811308	0.345989140253	0.473490683389	0.772492520889	-0.0261318498395	-0.0284266826998	0.487641186586	-0.1002804833	0.36100837772	-25.9915003472	-30.0207435238	50.2886378641
7	8.22774563344	-2.56915215668	5.66006076791	8.60920232477	2.0443740317	5.93579948855	-0.515671207523	-0.232885784804	-0.0131373885945	0.63049976491	-0.128181338844	0.759932856105	-0.771310912444	-0.771377606061	0.160992992379	0.482838216612	-0.0818628359119	0.153557498575	0.595979646236	-0.0408098553088	0.525371023765	-38.3264225039	-29.3036612355	52.2854928696
8	9.71745279461	-2.71581728401	3.86829193379	1.55537363257	0.115304166057	4.69941299466	-0.920534016851	0.891608728187	-0.0872866530922	2.04609375104	2.11150572877	-3.22939934064	-0.129997300356	0.934742815405	-0.209256219032	0.936351554412	-0.118905445193	-0.206761342882	0.621056872326	-0.111910171302	0.83798032691	-20.8147488307	-26.3864128835	61.6163844841
9	7.83218579804	0.305398332097	2.17236666519	1.49230363815	0.347976413047	4.22889184963	0.176681242078	-0.354716475913	0.921588216916	0.821058786146	-0.236910395906	0.23766400897	-0.069494052411	-0.141783510854	-0.0535933427385	0.642174317635	-0.000317811122712	0.00249111219063	0.382354359061	-0.0493066700093	0.492507249972	-33.6790418232	-16.9033776512	46.5872001234
10	4.68169367635	2.03493277753	-1.37050649973	6.10865717069	-3.04698223256	6.1723301589	-0.249803184483	1.43939503328	-0.198506638414	1.72867848357	0.169817964006	1.81800976143	-0.27572578432	2.16744532214	0.203849805633	1.15667347225	0.0167420768717	-0.0528748394229	0.568204165093	-0.190577007469	0.560334572585	-26.3323749428	-21.6255728698	66.473051188
11	1.00245384672	-1.772729465	0.891980914839	6.84541353323	-7.59310944623	2.00021237363	0.509095189426	-1.40921451923	-0.464778892719	-0.363497329619	-1.04823791875	0.514720370859	1.96926495236	1.78014089158	-0.56863169669	0.626159476211	-0.107855531947	-0.177346886652	0.707037804637	-0.0164971279991	0.865783927607	-15.5940637479	-13.5390730666	41.5007847547
12	6.09713490468	-6.90799233646	5.31774083445	7.81173684218	-6.02969527517	4.61162091242	-0.788794381529	0.79884813499	2.27360979513	0.338305954004	0.442253822187	-2.74357339407	-1.73287748516	-0.0896442699294	-0.0644460206295	0.788028152861	0.0238219426424	0.150082073577	0.395778091384	0.187087016688	1.29351738611	-18.7045010167	4.03703403998	47.8027243409
13	5.18400054911	-6.54110880086	-3.94576771653	8.64394648598	5.09941453449	3.98867557234	-0.851795779221	0.149547166829	1.40165253613	0.146814576463	1.55833257463	-0.710992885596	-0.787887528362	1.34663868907	-0.457672525112	0.525597839854	0.00578427044642	-0.147195342615	0.443504854508	0.149401459347	0.852743446329	-20.9027161741	2.09040285611	40.8061863574
14	4.06491879197	1.48527554232	-0.687755590976	2.45850470079	1.10120306329	2.65889403201	-0.637362567225	0.0767057951025	-0.271352875567	0.237251584805	0.341402449303	-0.32066918149	-0.49407054013	0.490723998056	0.0566698231209	0.672642176976	-0.000620735544848	0.0385349397369	0.427629249693	0.0423760892968	0.445415168055	-23.9318267611	-10.9534363537	37.5872006465
15	2.30837442164	0.465050933525	1.20741667792	2.14211682733	-0.715204555437	3.92555099352	-0.279582743209	0.0417879157687	0.371306796712	0.254325584615	-0.473766138695	-0.202591584656	-0.392683485761	-0.680619327245	0.215419550915	0.701156682731	0.130758900193	0.030264838712	0.343643690657	0.0478615381666	0.657207201641	-33.2972202635	-5.04260740188	42.1933229149
16	3.33853486521	-2.46989226273	-2.3406539004	6.11026147957	-3.2835090411	7.8105939864	0.188485030788	-0.236819802528	0.803865517618	-0.986964726534	-0.110990294765	0.162829820284	-0.932873708621	-0.00777632220974	-0.214804929436	0.908527391227	-0.0315675017833	-0.140700765931	0.373369713691	-0.0601466811543	0.759439181419	-23.0760275667	-2.61782521504	35.0410903139
17	6.57135028633	-4.21154151068	2.07155613805	4.13693104746	-1.13098859844	2.24861172623	-1.22397513179	-2.37237390746	1.66738239791	1.28104421042	0.649273578724	0.275513231513	-0.329770258781	-0.549210441338	0.264904116887	0.797919331544	0.130731587939	0.0606738683715	0.663280555387	-0.105675502027	1.09100117233	-31.0637092938	6.58190360706	47.3546539214
18	4.34088390984	-4.84291921493	2.18489788819	6.09766683057	-2.51234185373	1.16771698691	0.0975675434457	0.62721069422	0.672274299203	0.464464911521	0.112147089195	0.281613342715	-0.478156387345	0.136208706147	-0.146181624679	0.644024490162	0.00522756001562	0.191053584873	0.443108755216	-0.004700975718	0.703367116284	-24.2513433187	-8.27422640513	45.100320125
19	5.96876449202	-1.76148998651	4.05121515291	1.12907998278	-0.349142358134	4.63840975233	-0.0322469759937	-0.325937352765	-0.0390519224858	-0.30059741826	0.105870047648	-0.0708324952975	-1.46601603638	-1.18614719547	-0.319920853892	0.507259538935	0.0101353645674	-0.0787320031185	0.330858009342	0.0760361969022	0.558839714064	-22.0221771623	-17.7647528844	39.8994614807
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56	0.462620358059	-0.0858459803345	1.08074430497	1.42237679376	-0.271492979075	4.34982677871	0.296448311474	0.137379186549	0.0797821362409	-0.163648875311	-0.0225321998711	-0.13416520396	0.278200713083	0.541137423784	-0.258742673136	0.474638638898	0.0528258772695	-0.0193279499484	0.439039823757	0.0461046086218	0.460945175494	-33.5953574929	-23.4345532164	10.391135373
57	2.01082954542	-0.619307601718	2.72963785261	3.21708353088	-1.41843674956	6.56268595922	0.0162106323506	0.414508082425	0.173866662962	-0.150944558632	-0.174566563266	0.148896173129	0.024788475918	-0.139771748183	0.159309768193	0.274096485897	-0.00214671804753	0.0650133837384	0.45610389962	0.0994059930815	0.397237221799	-34.8983477316	-14.5792243629	2.0730910659
58	2.65028890198	0.130616151406	2.14187469104	3.80314397569	-1.22467394344	5.65183614284	-0.204837003652	0.104921107522	0.437994242564	-0.181543620773	0.18532747443	-0.0783903787614	-1.7394253663	1.11616927147	0.181369571905	0.288358663617	0.0463341721151	-0.158399620106	0.464141161975	0.203378530676	0.590210382313	-41.6955025364	-5.28963317126	-4.98087253426
59	2.03487872271	-1.08354065704	2.57700451457	3.7888291775	-0.90205304218	2.71663924895	0.238003556425	0.304635095503	-0.230180400175	-0.580973857531	-0.218232866218	0.128164641781	0.235609058383	-0.567423636921	-0.0611985525412	0.43842486881	-0.0154616059553	-0.0293698137202	0.471232993254	0.0197944475716	0.501986107979	-50.7578314861	-14.1596591264	-7.27366527478
60	7.3354333037	2.40752612364	3.2501888675	4.53815673271	4.28642372721	5.50242621961	-0.695835952233	0.897614801685	0.323592118427	-0.954000086009	-0.797962928928	0.177039140136	-1.80319493757	-0.655018607682	1.18598931194	0.529644812286	-0.0819535484699	0.0409767906935	0.529364245044	0.0158216449299	0.47917043042	-50.5851224524	-21.2261722202	-1.04813531515
61	9.08130749377	-6.52154489299	-8.06211971172	4.82786938801	6.06444656136	8.05900879504	-0.287874943647	0.731554726625	-0.526936155326	0.202362171083	0.0816428865222	0.505531730885	0.794594996008	-0.556126897538	0.187008496229	0.543487342273	-0.057480604106	-0.076298437203	0.541339669308	-0.027620647319	0.435750067634	-51.6710618934	-25.7854048821	19.5796586843
62	3.28212035673	-0.0087493262176	-2.91205577452	3.90922842544	-0.75956327561	2.39303451554	-0.507579081533	0.694890905501	-0.413529701787	-0.691495469263	-0.285050363528	0.140573390624	-0.058615083817	-0.0517712506811	0.680130570531	0.683862743038	-0.0655558292065	-0.0684147454005	0.678007501326	-0.0157167320358	0.474333082063	-41.9812984611	-24.1797118284	-8.9017095285
63	7.82462437104	-1.82652737561	0.22581895985	1.34244718722	-0.335941348576	6.02705018168	0.150946002219	-0.582351708896	0.349020570146	0.155901637615	-0.0196995969756	0.0552545038448	-1.01496888303	0.387322282323	-0.137166426401	0.775228795462	-0.166734819641	0.0589800302133	0.477936864821	-0.0864281367998	0.512722415505	-2.28046549562	-35.9308457154	78.702573666
64	1.60633704761	-0.13051605161	-1.14708989126	3.26776939608	-0.0866974290769	1.34798318962	0.196538079889	-0.712044844082	0.0436847209039	0.340361043954	-0.414892921756	-0.0941492883836	-0.438372020335	0.350507520774	0.177573853256	0.684414297245	-0.289224946386	0.0153609333829	0.905745704812	0.0143627674308	0.474865455225	2.00093551103	-43.0708514252	103.715863005
65	4.61193985096	-1.43064233927	0.325529853038	6.16537275534	1.60278621251	1.25275894565	-0.0775487202362	-0.875223418319	0.0603135035919	0.518214289189	-0.51221292446	-0.323187855176	0.347509965638	2.34709875174	0.45533271551	0.571388308927	-0.156571650091	-0.00888320733717	0.954003963478	0.136832143194	0.696635481873	-2.84219173461	-58.2402786973	112.665997323
66	8.84976257924	3.54009760307	7.45759242752	2.77683448178	4.83137715244	9.05976039144	-0.371063404342	1.62674754825	0.321509731655	-0.745730835329	0.660134615072	0.0945049644009	0.440586268069	0.779487143112	-0.348403365999	1.0606426518	-0.271654458794	0.0278520510983	1.44891202816	-0.0127767377992	0.603559846974	-8.22592214488	-60.1536949405	94.7374579492
67	-0.0763576817162	-0.631175431393	-0.558893700238	4.72873771438	-5.58666964577	9.82996918045	0.079908746427	-0.233503394538	0.0382589959105	0.755457039472	0.0584908138893	-0.0721162002596	-1.02221263379	-0.475256286229	-0.186682627599	0.713713714893	-0.211567718047	0.144521782267	0.933297879447	-0.106619989378	0.636653970936	-15.6383091129	-41.3599238683	105.972923649
68	3.98162492287	-0.0784513085176	1.48551419444	8.10075470553	-5.13286005084	3.53820077516	-0.11015961313	-0.577279792673	0.213331956793	1.10946097463	-0.209361328972	-0.467490224025	-1.27963628301	1.08552810837	0.263550413155	0.94279552747	-0.121420347823	0.124710298829	0.729636276117	-0.1540615809	0.642150652179	-6.54439374148	-40.0044869619	114.527818916
69	4.70078045782	2.0472185708	-4.8113785407	8.35041433679	-3.79133716321	7.32860680826	0.0339112519819	-0.296631068236	0.115937279423	0.383432703612	-0.277576083814	0.368935906343	-0.885047190626	0.0134470283753	0.229463552678	0.929607668514	-0.0181709582992	0.0622512963478	0.638644747622	-0.0596250010505	0.353855730003	-34.0799064149	-47.3141112773	65.4936526547
70	5.23832128354	1.58069207244	-0.351331381022	8.67906950628	-2.24148076662	0.603532474139	-0.698099533065	-0.992446179181	0.381188727744	0.0159406318637	0.268800448089	-0.247127936726	0.896946467144	-0.826091805848	0.367872001015	0.684748730971	-0.0926747774374	0.119676830709	0.748685445258	0.0203122302075	0.441437877168	-30.9088666789	-43.3043553638	47.8388250079
71	3.97843059993	-6.11180974536	2.39636579437	9.62695280819	-3.89114486535	7.90151097204	0.251963287786	0.181269751077	-0.402294709838	-0.88852542962	0.248421488545	0.671130879891	1.4340653335	0.250414146185	-0.370758396643	0.472366166323	-0.11859662482	0.0235704197793	0.574116138997	-0.0323409936703	0.469791723746	-33.0690746488	-58.6146801667	58.8379802874
72	4.16733693413	-4.59010500981	0.462640171655	8.19730218401	2.7688813066	3.461780869	-0.0921977400953	0.506952529632	0.208640093783	-1.6966573193	-1.71888624032	0.0990785782029	0.424012955511	-0.185672204917	1.7502877167	0.636348982662	-0.0896098277793	0.0371197745187	0.8295421294	0.0347826700635	0.466230438117	-41.0044558607	-50.3316492737	48.4144332584
73	8.85504187856	-0.891305253204	-0.705610539307	9.63210389805	-6.91055424651	5.10849013194	-0.403097910046	0.049168384192	-0.309530391395	-0.118835364455	0.75697708672	0.373126755725	0.170247790496	-0.983756343769	-0.352479771767	0.755102562227	-0.0750881666344	0.136113773532	0.527012401002	-0.035477945984	0.466564115718	-42.9272490836	-56.0257310202	57.6802710511
74	6.3836831432	2.03193360112	-1.69677074346	2.44287859942	-3.38945545591	6.68385017251	0.30095467668	-0.395102731032	-0.198428254128	0.809760143706	0.468648437506	1.78033900615	-0.359111772001	-0.293688924455	-0.783288432785	0.574482883896	0.09238857774	0.0806758031191	0.521434219667	0.0408073969412	0.510399732892	-40.2012899206	-51.8146382252	63.6963985401
75	5.31962178546	0.566984234707	-2.28630791042	6.04245465121	-2.81552029085	9.20202698564	0.243645527809	-0.275603829111	0.377968688892	0.662986427752	-0.19933265927	-0.203671969724	-1.35974547256	0.323364464718	0.0581413777991	0.495297091727	0.0534711208968	-0.0234518886807	0.29127458361	-0.0170685225877	0.325988933965	-27.5649750735	-52.8646986457	54.9870135158
76	8.11293052085	-1.59929101204	2.44414024077	1.32509451859	-2.47168842337	4.76582582526	0.996520443127	1.15635028314	0.0401111183564	2.23313968866	-0.329493410749	0.204093250026	1.55213877678	0.0597035475683	-0.34460029478	1.2289527541	-0.312489502789	0.0976671129494	0.264053773819	-0.027019575229	0.56933988352	-35.749767938	-55.9767829788	75.0466071513
77	9.26436131292	-2.54124154489	4.3517978072	5.20338286746	4.03854568425	8.05017702316	-0.508803074417	-1.3334779948	-1.58735267466	1.6404190003	-0.578223078952	1.26635506513	0.580196809575	-1.10804764857	0.0296039813116	0.969012249259	-0.251130995908	0.0726428208501	0.436983401589	0.211495952053	0.870967664978	-29.6212471555	-71.6636948885	51.948469292
78	3.96079942284	-0.197013506855	-5.06126847251	6.41811177049	-2.71566868087	7.9535142691	0.186608874519	-2.08517083348	0.267754440474	-0.692888427607	-0.19483566439	-1.03464862319	0.908771706014	-0.390446378025	0.276404142493	0.62671315135	0.0074538084387	-0.214486757502	0.501171578459	0.0159123223227	0.483695973029	-13.0700339015	-73.1148787016	61.045248203
79	3.48913900652	0.155988564253	-1.36025226932	4.97740936405	2.05634266692	1.43877018316	-0.282638276831	0.365788780332	-0.704805814962	-0.574612177025	0.278536111842	-0.294747467788	-0.176671124463	0.140409843781	-0.019525329493	0.75696979184	-0.0809291084827	0.00445758798673	0.279046386049	0.0331063206752	0.543098041152	-18.9709305272	-70.1942077113	48.8413362518
80	6.26974683064	-1.78068160643	-2.33959200966	9.00144086909	-0.878100000209	3.99259067483	0.148768230699	-0.160165568779	0.0967491408157	0.222843664506	-0.0792465667248	-0.337193858043	-0.267388410633	0.0193292362048	-0.104269375068	0.442238126014	0.0207956179742	-0.0497064826503	0.346010922699	-0.0101347965556	0.346984734809	-16.8533452179	-58.5299567027	53.1175460753
81	2.04405424442	8.75071983664	5.01934635945	8.32559169293	4.13494121486	4.85932962714	-0.269073709995	0.113647733156	-2.62129088876	-0.79298219569	0.270536578701	-1.48311668755	2.38579062478	0.0884485094339	-0.533917969717	0.668338277248	-0.0346093236099	-0.171479513826	0.439058124001	-0.0302966240804	0.603548193487	-16.0032329683	-68.7004203557	46.9804709919
82	9.69568328705	-2.23846449655	4.8773418731	6.03599601331	1.88082496239	4.49215315652	0.132228217536	-0.532148736466	-0.45017883058	0.0350619067063	0.303985128553	-0.703597747311	-0.383710633536	0.0507156100337	-0.410845529588	0.741194683183	-0.0748705390381	0.107434889849	0.36013914061	-0.0022102291874	0.469745656059	-13.8235744038	-63.5115773161	57.9096602428
83	4.2167229812	0.356475537115	-2.84284670373	4.11983920207	-3.19443254518	3.94652997192	-0.188329752695	0.566634020989	-0.839818231018	-0.568488779482	0.681404103649	0.724422099353	-0.00848316135564	-1.29590702232	-0.291534956234	0.510918712961	-0.108167580992	-0.141777598521	0.45049873571	-0.0839881579826	0.524339821131	-31.1877767732	-64.4290329936	49.3380747038
84	9.04668963777	-7.30932963104	-5.10958236858	7.36395685157	3.12262959149	3.79078806265	-0.163433131917	-2.36336041213	1.06706756743	2.70582922339	0.38217190494	-2.01016173274	1.5716450932	0.469770452646	-0.476379196955	1.14976544214	-0.113798308442	-0.411197397926	0.27552568146	0.0152255783313	0.65217861161	-11.8527207642	-68.773504874	64.7651263954
85	6.94876770034	1.75933567618	3.27622501967	2.05596552177	2.94568526584	5.84516131255	0.304530491029	-1.41554848168	0.220958015825	0.77505880606	-0.00282987860796	0.0374107606665	0.561947275063	-1.01595330285	0.0656377937841	0.744679570584	-0.0201603769205	0.0922838109962	0.524163464114	0.0851441502145	0.471156021318	-34.8567530298	-22.0903708069	59.9565283047

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'F' and (resid 18 through 25 )
2	X-RAY DIFFRACTION	2	chain 'F' and (resid 26 through 32 )
3	X-RAY DIFFRACTION	3	chain 'F' and (resid 33 through 40 )
4	X-RAY DIFFRACTION	4	chain 'F' and (resid 41 through 52 )
5	X-RAY DIFFRACTION	5	chain 'F' and (resid 53 through 60 )
6	X-RAY DIFFRACTION	6	chain 'F' and (resid 61 through 73 )
7	X-RAY DIFFRACTION	7	chain 'F' and (resid 74 through 83 )
8	X-RAY DIFFRACTION	8	chain 'F' and (resid 84 through 91 )
9	X-RAY DIFFRACTION	9	chain 'F' and (resid 92 through 111 )
10	X-RAY DIFFRACTION	10	chain 'F' and (resid 112 through 119 )
11	X-RAY DIFFRACTION	11	chain 'G' and (resid 1 through 6 )
12	X-RAY DIFFRACTION	12	chain 'G' and (resid 7 through 14 )
13	X-RAY DIFFRACTION	13	chain 'G' and (resid 15 through 25 )
14	X-RAY DIFFRACTION	14	chain 'G' and (resid 26 through 38 )
15	X-RAY DIFFRACTION	15	chain 'G' and (resid 39 through 61 )
16	X-RAY DIFFRACTION	16	chain 'G' and (resid 62 through 75 )
17	X-RAY DIFFRACTION	17	chain 'G' and (resid 76 through 83 )
18	X-RAY DIFFRACTION	18	chain 'G' and (resid 84 through 90 )
19	X-RAY DIFFRACTION	19	chain 'G' and (resid 91 through 101 )
20	X-RAY DIFFRACTION	20	chain 'G' and (resid 102 through 107 )
21	X-RAY DIFFRACTION	21	chain 'H' and (resid 1 through 17 )
22	X-RAY DIFFRACTION	22	chain 'H' and (resid 18 through 25 )
23	X-RAY DIFFRACTION	23	chain 'H' and (resid 26 through 33 )
24	X-RAY DIFFRACTION	24	chain 'H' and (resid 34 through 40 )
25	X-RAY DIFFRACTION	25	chain 'H' and (resid 41 through 51 )
26	X-RAY DIFFRACTION	26	chain 'H' and (resid 52 through 60 )
27	X-RAY DIFFRACTION	27	chain 'H' and (resid 61 through 73 )
28	X-RAY DIFFRACTION	28	chain 'H' and (resid 74 through 83 )
29	X-RAY DIFFRACTION	29	chain 'H' and (resid 84 through 91 )
30	X-RAY DIFFRACTION	30	chain 'H' and (resid 92 through 98 )
31	X-RAY DIFFRACTION	31	chain 'H' and (resid 99 through 111 )
32	X-RAY DIFFRACTION	32	chain 'H' and (resid 112 through 119 )
33	X-RAY DIFFRACTION	33	chain 'I' and (resid 1 through 6 )
34	X-RAY DIFFRACTION	34	chain 'I' and (resid 7 through 14 )
35	X-RAY DIFFRACTION	35	chain 'I' and (resid 15 through 25 )
36	X-RAY DIFFRACTION	36	chain 'I' and (resid 26 through 38 )
37	X-RAY DIFFRACTION	37	chain 'I' and (resid 39 through 48 )
38	X-RAY DIFFRACTION	38	chain 'I' and (resid 49 through 61 )
39	X-RAY DIFFRACTION	39	chain 'I' and (resid 62 through 75 )
40	X-RAY DIFFRACTION	40	chain 'I' and (resid 76 through 90 )
41	X-RAY DIFFRACTION	41	chain 'I' and (resid 91 through 101 )
42	X-RAY DIFFRACTION	42	chain 'I' and (resid 102 through 107 )
43	X-RAY DIFFRACTION	43	chain 'A' and (resid 0 through 104 )
44	X-RAY DIFFRACTION	44	chain 'A' and (resid 105 through 120 )
45	X-RAY DIFFRACTION	45	chain 'A' and (resid 121 through 134 )
46	X-RAY DIFFRACTION	46	chain 'A' and (resid 135 through 165 )
47	X-RAY DIFFRACTION	47	chain 'A' and (resid 166 through 227 )
48	X-RAY DIFFRACTION	48	chain 'A' and (resid 228 through 260 )
49	X-RAY DIFFRACTION	49	chain 'A' and (resid 261 through 288 )
50	X-RAY DIFFRACTION	50	chain 'A' and (resid 289 through 300 )
51	X-RAY DIFFRACTION	51	chain 'A' and (resid 301 through 319 )
52	X-RAY DIFFRACTION	52	chain 'A' and (resid 320 through 335 )
53	X-RAY DIFFRACTION	53	chain 'A' and (resid 336 through 360 )
54	X-RAY DIFFRACTION	54	chain 'A' and (resid 361 through 371 )
55	X-RAY DIFFRACTION	55	chain 'B' and (resid 0 through 104 )
56	X-RAY DIFFRACTION	56	chain 'B' and (resid 105 through 165 )
57	X-RAY DIFFRACTION	57	chain 'B' and (resid 166 through 227 )
58	X-RAY DIFFRACTION	58	chain 'B' and (resid 228 through 260 )
59	X-RAY DIFFRACTION	59	chain 'B' and (resid 261 through 299 )
60	X-RAY DIFFRACTION	60	chain 'B' and (resid 300 through 319 )
61	X-RAY DIFFRACTION	61	chain 'B' and (resid 320 through 335 )
62	X-RAY DIFFRACTION	62	chain 'B' and (resid 336 through 369 )
63	X-RAY DIFFRACTION	63	chain 'C' and (resid 0 through 132 )
64	X-RAY DIFFRACTION	64	chain 'C' and (resid 133 through 227 )
65	X-RAY DIFFRACTION	65	chain 'C' and (resid 228 through 254 )
66	X-RAY DIFFRACTION	66	chain 'C' and (resid 255 through 277 )
67	X-RAY DIFFRACTION	67	chain 'C' and (resid 278 through 335 )
68	X-RAY DIFFRACTION	68	chain 'C' and (resid 336 through 369 )
69	X-RAY DIFFRACTION	69	chain 'D' and (resid 1 through 25 )
70	X-RAY DIFFRACTION	70	chain 'D' and (resid 26 through 33 )
71	X-RAY DIFFRACTION	71	chain 'D' and (resid 34 through 51 )
72	X-RAY DIFFRACTION	72	chain 'D' and (resid 52 through 60 )
73	X-RAY DIFFRACTION	73	chain 'D' and (resid 61 through 73 )
74	X-RAY DIFFRACTION	74	chain 'D' and (resid 74 through 91 )
75	X-RAY DIFFRACTION	75	chain 'D' and (resid 92 through 111 )
76	X-RAY DIFFRACTION	76	chain 'D' and (resid 112 through 119 )
77	X-RAY DIFFRACTION	77	chain 'E' and (resid 1 through 6 )
78	X-RAY DIFFRACTION	78	chain 'E' and (resid 7 through 14 )
79	X-RAY DIFFRACTION	79	chain 'E' and (resid 15 through 32 )
80	X-RAY DIFFRACTION	80	chain 'E' and (resid 33 through 61 )
81	X-RAY DIFFRACTION	81	chain 'E' and (resid 62 through 75 )
82	X-RAY DIFFRACTION	82	chain 'E' and (resid 76 through 90 )
83	X-RAY DIFFRACTION	83	chain 'E' and (resid 91 through 101 )
84	X-RAY DIFFRACTION	84	chain 'E' and (resid 102 through 107 )
85	X-RAY DIFFRACTION	85	chain 'F' and (resid 1 through 17 )

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