PDB-7mfi: Bovine sigma-2 receptor bound to cholesterol

ID or keywords:

Entry

Database: PDB / ID: 7mfi

Title

Bovine sigma-2 receptor bound to cholesterol

Components

Sigma intracellular receptor 2

Keywords

MEMBRANE PROTEIN / receptor / sterol / dimer

Function / homology

Function and homology information

regulation of intracellular lipid transport / regulation of intracellular cholesterol transport / rough endoplasmic reticulum membrane / positive regulation of lipoprotein transport / oxysterol binding / cholesterol binding / positive regulation of wound healing / rough endoplasmic reticulum / cholesterol homeostasis / nuclear membrane ...
Similarity search - Function

Biological species

Bos taurus (domestic cattle)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.81 Å

Authors

Alon, A. / Kruse, A.C.

Funding support

United States, 1items

Citation

Journal: Nature / Year: 2021
Title: Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Authors: Alon, A. / Lyu, J. / Braz, J.M. / Tummino, T.A. / Craik, V. / O'Meara, M.J. / Webb, C.M. / Radchenko, D.S. / Moroz, Y.S. / Huang, X.P. / Liu, Y. / Roth, B.L. / Irwin, J.J. / Basbaum, A.I. / ...

History

Deposition	Apr 9, 2021	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 15, 2021	Provider: repository / Type: Initial release
Revision 1.1	Dec 22, 2021	Group: Database references / Category: citation / Item: _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2	Jan 5, 2022	Group: Database references / Category: citation Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3	Oct 18, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7mfi.cif.gz	328.1 KB	Display	PDBx/mmCIF format
PDB format	pdb7mfi.ent.gz	236.6 KB	Display	PDB format
PDBx/mmJSON format	7mfi.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	7mfi_validation.pdf.gz	3.6 MB	Display	wwPDB validaton report
Full document	7mfi_full_validation.pdf.gz	3.7 MB	Display
Data in XML	7mfi_validation.xml.gz	27.8 KB	Display
Data in CIF	7mfi_validation.cif.gz	35 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/mf/7mfi ftp://data.pdbj.org/pub/pdb/validation_reports/mf/7mfi	HTTPS FTP

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Related structure data

Related structure data	7m93SC 7m94C 7m95C 7m96C S: Starting model for refinement C: citing same article (ref.)
Similar structure data	7m93-1 7m94-1 7m93-2 7m95-d 7mfi-2 4y0m-5 7m94-2 7pcy-1 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

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#217 - Jan 2018 Opioid Receptors similarity (2) #118 - Oct 2009 Sodium-Potassium Pump similarity (1) #164 - Aug 2013 Serotonin Receptor similarity (2) #199 - Jul 2016 Monellin similarity (2) #100 - Apr 2008 Adrenergic Receptors similarity (1) #171 - Mar 2014 Neurotransmitter Transporters similarity (1) #208 - Apr 2017 Glucose Transporters similarity (1) #27 - Mar 2002 Bacteriorhodopsin similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#217 - Jan 2018
Opioid Receptors
similarity (2)
#118 - Oct 2009
Sodium-Potassium Pump
similarity (1)
#164 - Aug 2013
Serotonin Receptor
similarity (2)
#199 - Jul 2016
Monellin
similarity (2)
#100 - Apr 2008
Adrenergic Receptors
similarity (1)
#171 - Mar 2014
Neurotransmitter Transporters
similarity (1)
#208 - Apr 2017
Glucose Transporters
similarity (1)
#27 - Mar 2002
Bacteriorhodopsin
similarity (1)

Deposited unit

A: Sigma intracellular receptor 2

B: Sigma intracellular receptor 2

C: Sigma intracellular receptor 2

D: Sigma intracellular receptor 2

hetero molecules

89.8 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Sigma intracellular receptor 2

B: Sigma intracellular receptor 2

hetero molecules

defined by author&software
Evidence: light scattering
44.8 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Sigma intracellular receptor 2

D: Sigma intracellular receptor 2

hetero molecules

defined by author&software
45 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	70.873, 54.894, 93.007
Angle α, β, γ (deg.)	90.000, 94.302, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb
Symmetry operation	#1: x,y,z #2: -x,y+1/2,-z

#1: Protein	Sigma intracellular receptor 2 / Sigma-2 receptor / Sigma2 receptor / Transmembrane protein 97 Mass: 20229.896 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bos taurus (domestic cattle) / Gene: TMEM97, S2R / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: Q3MHW7
#2: Chemical	ChemComp-CLR / CHOLESTEROL Mass: 386.654 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂₇H₄₆O / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-OLC / (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate / 1-Oleoyl-R-glycerol Mass: 356.540 Da / Num. of mol.: 20 / Source method: obtained synthetically / Formula: C₂₁H₄₀O₄
#4: Chemical	ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID Mass: 195.237 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₆H₁₃NO₄S / Comment: pH buffer*YM
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 20 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.21 Å³/Da / Density % sol: 44.37 %
Crystal grow	Temperature: 293 K / Method: lipidic cubic phase / pH: 6 Details: PEG 300 400 mM Na Citrate 100 mM MES pH 6 1,2,3 heptanetriol

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Data collection

Diffraction	Mean temperature: 80 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.0332 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 17, 2019
Radiation	Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.0332 Å / Relative weight: 1
Reflection	Resolution: 2.8→50 Å / Num. obs: 17737 / % possible obs: 99.7 % / Redundancy: 6.7 % / B_iso Wilson estimate: 63.64 Å² / CC_1/2: 0.992 / CC star: 0.998 / R_merge(I) obs: 0.3223 / R_pim(I) all: 0.1341 / R_rim(I) all: 0.3496 / Net I/σ(I): 5.35
Reflection shell	Resolution: 2.8→2.9 Å / Redundancy: 6.9 % / R_merge(I) obs: 2.2 / Mean I/σ(I) obs: 0.94 / Num. unique obs: 1752 / CC_1/2: 0.426 / CC star: 0.773 / R_pim(I) all: 0.9 / R_rim(I) all: 2.383 / % possible all: 98.54

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Processing

Software

Name	Version	Classification
PHENIX	1.19.1_4122+SVN	refinement
Blu-Ice	1.19.1_4122	data collection
XDS		data reduction
XDS		data scaling
Coot		model building
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 7M93

7m93

Resolution: 2.81→47.24 Å / SU ML: 0.5022 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 31.2462
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2781	1752	9.887 %	Random selection
R_work	0.24	30724	-	-
obs	-	17720	99.58 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 64.35 Å²

Refinement step

Cycle: LAST / Resolution: 2.81→47.24 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5292	0	335	21	5648

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0029	5814
X-RAY DIFFRACTION	f_angle_d	0.5895	7885
X-RAY DIFFRACTION	f_chiral_restr	0.0389	867
X-RAY DIFFRACTION	f_plane_restr	0.0048	939
X-RAY DIFFRACTION	f_dihedral_angle_d	11.5664	2088

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 (%)
2.81-2.85	0.3923	135	0.3468	1216	X-RAY DIFFRACTION	95.14
2.85-2.89	0.3935	152	0.3396	1312	X-RAY DIFFRACTION	99.73
2.89-2.93	0.3696	134	0.3465	1247	X-RAY DIFFRACTION	99.5
2.93-2.98	0.3803	128	0.3307	1310	X-RAY DIFFRACTION	99.17
2.98-3.03	0.4052	152	0.3241	1254	X-RAY DIFFRACTION	99.86
3.03-3.09	0.3437	150	0.332	1319	X-RAY DIFFRACTION	99.8
3.09-3.15	0.3873	132	0.3197	1212	X-RAY DIFFRACTION	100
3.15-3.21	0.3196	135	0.3041	1346	X-RAY DIFFRACTION	100
3.21-3.28	0.3321	133	0.3036	1253	X-RAY DIFFRACTION	99.93
3.28-3.36	0.3685	152	0.287	1286	X-RAY DIFFRACTION	99.79
3.36-3.44	0.3085	143	0.2848	1322	X-RAY DIFFRACTION	100
3.44-3.53	0.2887	127	0.264	1260	X-RAY DIFFRACTION	100
3.53-3.64	0.2887	170	0.2523	1255	X-RAY DIFFRACTION	100
3.64-3.76	0.2597	110	0.2275	1307	X-RAY DIFFRACTION	99.86
3.76-3.89	0.2497	135	0.2176	1307	X-RAY DIFFRACTION	100
3.89-4.05	0.2538	152	0.2222	1264	X-RAY DIFFRACTION	99.72
4.05-4.23	0.2165	129	0.1946	1313	X-RAY DIFFRACTION	99.72
4.23-4.45	0.2579	135	0.1981	1266	X-RAY DIFFRACTION	99.86
4.45-4.73	0.2073	147	0.1875	1296	X-RAY DIFFRACTION	99.86
4.73-5.1	0.2505	134	0.1984	1275	X-RAY DIFFRACTION	99.86
5.1-5.61	0.276	145	0.2247	1282	X-RAY DIFFRACTION	100
5.61-6.42	0.3015	146	0.2501	1265	X-RAY DIFFRACTION	99.86
6.42-8.08	0.2638	141	0.2449	1290	X-RAY DIFFRACTION	99.86
8.08-47.24	0.2224	143	0.1927	1267	X-RAY DIFFRACTION	98.39

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	4.32747094879	-1.7757335629	1.51681002758	3.68740215201	-5.49194843809	5.71728044904	0.14453427059	-0.402724559224	-0.18248297323	0.0381197118283	0.0800814873028	0.128958524915	0.353903166567	-0.272563670912	-0.377007503002	0.416760678175	-0.0181210982529	0.0734298710051	0.36938928737	-0.0807335550728	0.460099033371	23.9533501805	-26.3319680977	13.4112700216
2	1.58711706848	-3.14565341575	-1.76716473564	8.18924895428	5.16244481522	9.02533391844	0.434238859585	-1.80241812147	-0.554358921269	-0.287125940929	0.501414893279	-0.978919791158	-0.25338269484	0.935920969276	-0.942574560699	0.616891141374	-0.0372690697451	-0.105207341533	0.974235034136	-0.145696733597	0.821196494229	38.6557515138	-31.1086589663	23.1915361491
3	3.5475453927	-0.597334274992	-1.55137560852	4.59700354506	1.27842220019	1.69776070896	-0.163872827585	-0.792674925975	-0.592525198834	0.798248173195	0.263248726419	-0.125830984621	0.772007260934	-0.288631984152	0.089738428779	0.557686893651	0.0191299289645	-0.0409699419152	0.491461503347	-0.0637734329926	0.471690582363	32.4849141675	-16.1412786994	21.9265215048
4	1.96111399335	0.435491552433	-1.28568031786	0.816615596047	-0.363508109344	2.08944948856	-0.132685778839	0.0294639322956	-0.0740899055477	-0.33514205266	0.0794574071803	0.000997104502595	0.187274120791	-0.204319933489	0.0777678248068	0.459334858203	-0.00676411592641	0.0423534909117	0.484686369386	-0.0629142508297	0.437073543523	21.9903776345	-16.663212683	9.20905330629
5	2.12975688567	1.86649934224	4.06429900953	1.37473224137	5.29587298589	2.12636235823	0.165398060404	-0.200221153255	1.47916063175	-0.0752224189034	-0.00896969452	-0.717866510671	-0.877998084069	-0.397303400323	0.302125521377	0.778534804075	-0.143436526488	-0.0362660266664	0.551321947891	-0.155800490841	0.741400439851	48.825803295	-15.8683633843	20.9003232599
6	6.86075851618	-0.230866793237	5.35326560848	1.86541263517	0.665339551473	5.30588594726	0.384899995126	-0.0157106546856	-0.231889155607	-0.144166953372	-0.079616426799	-0.0589238489625	0.39753334288	-0.234058832093	-0.303780325781	0.636990097846	-0.0426007066901	0.0881759746955	0.446149841465	0.0249582377228	0.383398108511	30.6144213154	-18.2437131232	4.36455617628
7	6.28622442334	0.700140360843	1.27922748004	2.1499456982	-0.355299850746	2.16111196349	0.1728712049	-0.76278765496	0.900308582301	-0.127645065635	-0.254130749403	-0.0727643636176	-0.261138238282	-0.436987148842	0.300591843754	0.4525562282	-0.00849094692916	0.0209348146735	0.517340956044	-0.143996254671	0.396556231259	23.576002861	10.8935379833	10.0980173909
8	2.13680462661	-1.92918717682	1.28129321801	5.51585090384	2.65352050482	4.33875992584	0.0532004215587	-0.135340574637	0.558535143624	0.437386731617	0.457380486662	-0.659666430529	-0.865845130956	0.55146361207	-0.733463517263	0.932977923514	-0.00207864072638	0.169077229337	0.489781736225	-0.0346405619303	0.610327147694	43.3248620913	12.7149723863	16.8043810479
9	6.02360641879	-6.48872591691	-4.64755697181	2.10144802274	1.97335089111	6.45063094413	1.16546361047	0.479471305886	1.32172194671	-1.11035298804	0.212649360661	-3.6543088357	-0.650569863391	2.32623779208	-1.51252697279	0.621244019643	0.0380750720565	0.026781007738	0.784224929946	0.119719821766	0.943999025919	40.9971278108	2.41791057716	22.2712628925
10	1.9512024875	-0.598014159927	0.872642079221	3.13101447357	0.169220101083	1.43756672831	0.34572612418	0.105753853242	0.142882552139	-0.523496162022	-0.256858852006	-0.132803600713	-0.0758007637934	-0.137153300725	-0.0830824118814	0.448736817621	0.0136148269862	0.0651793774558	0.507393791995	-0.00544047241881	0.340686512316	26.7447252078	0.522829880868	9.5146686522
11	2.55315015174	-3.81829523011	2.58861829158	5.616017116	-3.94725638085	2.8358731987	0.381241797728	0.176806759514	1.52547618655	-0.386230342503	-0.667923865347	-0.814884572761	-0.446779879909	-0.180706905542	-0.495116478921	0.723219752172	0.123854462147	0.150537908722	0.750057952101	0.283405458754	1.15505931568	43.9243929688	-3.49827737702	31.8640092793
12	6.58248582667	4.18906528581	1.48923920834	5.42722452661	1.25174444889	2.04124630884	0.890504298649	-1.63939266623	-1.11979584528	0.837136727353	0.319684954027	-1.25149098882	0.249052701972	0.875849890881	-0.780242532123	0.637499411073	-0.0950408649432	-0.10221929365	0.908724133176	-0.083750822426	0.888080607929	39.8822928222	2.82297546271	33.4321826575
13	8.21359702471	3.09534631399	3.71458821801	4.06689473307	2.48150160505	9.89763308337	0.231762444416	-0.681077743406	0.265766044852	0.093307193071	-0.339519597048	-0.0233288987324	-0.636226155797	-0.87190837939	-0.0169521638985	0.429416329999	0.0164127529296	0.0578086267855	0.348150013478	-0.0883373379172	0.419374831353	20.8134316736	2.86038942582	18.5441800034
14	2.05679945419	1.64459982549	0.0694522560189	6.49685836885	4.05697340791	6.26233090416	0.494457895458	-0.341879605548	-0.02532985192	0.622449502461	0.0455059551777	-0.0275254387319	0.456124741767	0.545657466906	-0.625960781505	0.449319476984	0.0331306454843	-0.0172572833298	0.469229745287	0.0505329291831	0.441868746606	10.9917710921	-51.4462025407	41.2110543646
15	2.57573738972	4.45869047566	-1.00040212231	3.94865908006	-1.06296058811	0.766498790075	-0.601157420022	-0.241513382834	-0.344398811861	-0.404971231073	0.425816904013	-0.0348627170765	0.287927660637	-0.0727288629601	0.403006248468	0.524300442891	0.0097410492422	0.0443041103012	0.706223543021	0.0366304945451	0.616772279031	-0.717741250574	-53.6815719279	20.9441482557
16	6.47452147387	0.500129358359	0.90864715128	1.98162119801	5.59418306262	2.7177617147	1.02258108169	0.829771148182	-0.401884073951	-4.00480576909	-0.23887217495	-1.48710018991	0.580301955002	-0.963936260622	-0.0262638060684	1.30707429497	0.0925769256886	-0.0312477368981	0.624598669898	0.105439903503	0.699556260057	-6.65094318411	-44.2844778815	23.1447053579
17	2.23274413646	-1.37257936068	0.607284899247	0.393524615086	0.0405081485585	2.78079777703	0.113498097808	0.0877606658393	0.0341975591703	0.138775831121	0.00767446639466	-0.108388376085	-0.18296612383	0.152626046948	-0.0892736332616	0.452352992006	-0.0750162927715	0.0492048294934	0.496835590498	-0.047257642916	0.531487131917	8.94906119335	-40.7905570153	34.578534421
18	8.63247923688	0.335966072617	5.59200065259	2.33553414637	-0.0043571278093	7.58786871059	0.509243273856	-0.0193685243452	-0.279580982123	-0.0263287251195	-0.148864978093	0.359017809857	0.825257931668	-0.677694697633	-0.2985326572	0.463607351435	-0.0260032173091	0.0162657568724	0.383728452728	0.0315825600213	0.37199925079	-5.05857235004	-43.4837783093	36.9729606731
19	4.24228053	2.22774045482	0.142420164638	4.72155992906	-4.76691435921	2.04695544605	-0.734304899169	-2.06668289667	0.658469486836	1.82245678487	-1.12186195384	-0.828463008032	0.458788792617	-0.325225518924	1.17669023174	0.928298649173	-0.233552863925	-0.0534775502726	1.23841135691	-0.342073814313	0.832254278048	18.2263299179	-40.0072341035	52.854678818
20	2.08798545925	-1.6690532729	0.26579371253	3.48466731267	-1.63685672569	1.55491746387	-0.855075988003	-1.82705146747	-0.337792361892	-0.264782619246	0.68689343935	-0.083416564305	-0.735376213133	0.193054981606	0.259216207349	0.646512438475	-0.00032290326526	0.0902004428102	0.54308596353	-0.0621850323175	0.374479350066	10.5581863733	-13.213842251	37.9074693315
21	5.41176811965	-5.56773630848	-0.276311469545	9.92263007394	3.1736199663	3.6042534183	1.06964708081	0.681827054955	0.562586035736	-0.85763293966	-0.778531052064	-1.42384988835	-0.25596956029	0.699893158871	-0.461506764593	0.481964638627	-0.122761578221	0.00621632786657	0.655138918498	-0.137911331641	0.836083187541	-7.09740542413	-17.0012873484	32.4600135122
22	5.69509686335	-1.66803797129	-1.69234248214	2.02583633967	1.38545062704	5.37207234415	0.694624386162	0.627851615131	-1.04241344586	1.30833284315	-0.477331144086	0.525699346862	0.403116940414	-0.645673198083	-0.312906056214	0.470508981203	0.0347109239868	-0.0251288978358	0.515729702368	-0.0705857973391	0.714557455342	-14.299657623	-15.0348904271	36.3017292443
23	2.03927175192	-2.68495378325	-0.75674397205	7.0652041269	4.00559187898	5.17822673902	0.43807514291	0.930412064906	0.651909039449	-0.530377145424	-0.41541346527	0.130130355084	-1.07244991065	-0.345558795703	-0.0214715699137	0.592119594277	-0.00576420108953	-0.0901933926142	0.623680671481	0.0752961089281	0.708569095448	-9.45246459715	-10.5275681724	25.2145769141
24	4.43992156084	-6.49394256651	5.86362711534	2.13529082491	-7.92535053865	8.58897095801	1.59957938146	-0.484229810205	-1.77204626352	0.952800739431	1.93666426634	3.58249575176	0.131078206607	-1.59509006522	-2.31647384374	0.459234705589	0.0787728984803	-0.133050198184	0.639623447108	0.0600872834427	1.18118710622	-7.05860217088	-21.0505270418	22.891741133
25	3.81730560517	0.469605623521	0.309470974526	3.45570963962	0.72190783568	4.89606581165	0.235355350947	-0.661147766454	0.358867466577	0.426436232056	0.152621024108	-0.0407465881411	-0.45432685809	0.0472055483505	-0.48217964976	0.446144235198	0.0096103458461	0.0666923484954	0.534543248627	-0.0388857143902	0.387145523122	3.41116269103	-21.6183673052	40.4167852052
26	4.24800351659	0.0413104980802	0.0482765831241	3.03165339366	1.64669913975	6.75052404603	0.533983564542	0.219051995942	0.404270869866	0.601037373123	0.143098659981	0.0840700908712	-0.0972594222561	0.983106038201	-0.645874334709	0.445594873532	-0.114623276437	0.108636382889	0.355073700642	0.0236230205095	0.394965675682	8.06533257616	-27.3627649306	33.6598451135
27	2.19135302957	-0.69504484836	-0.180737957073	0.258102346008	-0.00654199372419	0.0706290088854	0.212394301648	-0.471552202506	-1.01137458916	0.17844945384	-0.541799909768	0.147362310999	-0.619593596211	-2.01419422183	-0.0981966835494	0.862410134592	-0.110124007273	-0.40541123688	1.04294138082	-0.0586571210512	0.761307467	-9.42624433296	-28.1092206624	15.1059294903
28	9.46443423338	-2.12649994995	1.98915290041	8.23044119877	-2.14667218687	2.04432646617	0.317040210715	2.64257484463	0.0756114205757	-0.874805779983	0.678144424914	1.38026308744	0.565199758959	0.40903536053	-0.777985598616	0.856949382677	0.00176904652754	-0.0262008365134	0.563975369458	0.0293573193292	0.821700875214	-5.43375997734	-21.9095121399	12.403338477
29	9.59078375812	-1.06157315642	2.74188845924	3.06605564039	-2.54331681437	5.14224355697	0.56323283334	-0.0553183031511	0.363377084316	-0.364161422708	-0.27372286165	-0.0892802548735	-0.0862942756296	0.381145749095	-0.261323376111	0.547410034934	0.00107138445938	0.0327763963402	0.398747275061	-0.0681905202917	0.324301701551	9.38039021244	-21.3373419746	25.7339278179
30	0.00410756533964	0.000793383889031	0.0131241450473	0.464278414727	0.400339873426	0.306007956734	1.42906407291	0.502992840198	-0.64439195882	1.04886091504	1.14216841228	-1.94363762229	-0.0605020441276	1.56683128648	-1.7063848709	1.24630388862	0.577042561036	-0.635705719856	0.694365449362	-0.559338108923	1.69137118378	23.7740505197	-23.7396969764	44.0153281332

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid 4 through 40 )	A	A	4 - 40	1 - 37
2	2	chain 'A' and (resid 41 through 54 )	A	A	41 - 54	38 - 51
3	3	chain 'A' and (resid 55 through 76 )	A	A	55 - 76	52 - 73
4	4	chain 'A' and (resid 77 through 120 )	A	A	77 - 120	74 - 117
5	5	chain 'A' and (resid 121 through 136 )	A	A	121 - 136	118 - 132
6	6	chain 'A' and (resid 137 through 168 )	A	A	137 - 168	133 - 164
7	7	chain 'B' and (resid 4 through 32 )	B	J	4 - 32	1 - 29
8	8	chain 'B' and (resid 33 through 54 )	B	J	33 - 54	30 - 51
9	9	chain 'B' and (resid 55 through 63 )	B	J	55 - 63	52 - 60
10	10	chain 'B' and (resid 64 through 120 )	B	J	64 - 120	61 - 117
11	11	chain 'B' and (resid 121 through 130 )	B	J	121 - 130	118 - 127
12	12	chain 'B' and (resid 131 through 136 )	B	J	131 - 136	128 - 133
13	13	chain 'B' and (resid 137 through 167 )	B	J	137 - 167	134 - 164
14	14	chain 'C' and (resid 4 through 27 )	C	O	4 - 27	1 - 24
15	15	chain 'C' and (resid 28 through 54 )	C	O	28 - 54	25 - 51
16	16	chain 'C' and (resid 55 through 63 )	C	O	55 - 63	52 - 60
17	17	chain 'C' and (resid 64 through 120 )	C	O	64 - 120	61 - 117
18	18	chain 'C' and (resid 121 through 162 )	C	O	121 - 162	118 - 153
19	19	chain 'C' and (resid 163 through 168 )	C	O	163 - 168	154 - 159
20	20	chain 'D' and (resid 5 through 27 )	D	W	5 - 27	1 - 23
21	21	chain 'D' and (resid 28 through 32 )	D	W	28 - 32	24 - 28
22	22	chain 'D' and (resid 33 through 40 )	D	W	33 - 40	29 - 36
23	23	chain 'D' and (resid 41 through 53 )	D	W	41 - 53	37 - 49
24	24	chain 'D' and (resid 54 through 63 )	D	W	54 - 63	50 - 59
25	25	chain 'D' and (resid 64 through 93 )	D	W	64 - 93	60 - 89
26	26	chain 'D' and (resid 94 through 120 )	D	W	94 - 120	90 - 116
27	27	chain 'D' and (resid 121 through 130 )	D	W	121 - 130	117 - 126
28	28	chain 'D' and (resid 131 through 136 )	D	W	131 - 136	127 - 132
29	29	chain 'D' and (resid 137 through 162 )	D	W	137 - 162	133 - 158
30	30	chain 'D' and (resid 163 through 167 )	D	W	163 - 167	159 - 163

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