PDB-8xx8: Structure of Glycilhalorhodopsin from Salinarimonas soli

ID or keywords:

Entry

Database: PDB / ID: 8xx8

Title

Structure of Glycilhalorhodopsin from Salinarimonas soli

Components

Rhodopsin

Keywords

MEMBRANE PROTEIN / rhodopsin / photoreceptor / anion pump / microbial rhodopsin

Function / homology

Function and homology information

monoatomic ion channel activity / photoreceptor activity / phototransduction / membrane
Similarity search - Function

Biological species

Salinarimonas soli (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.63 Å

Authors

Suzuki, K. / Ishizuka, T. / Konno, M. / Inoue, K. / Murata, T.

Funding support

Japan, 2items

Citation

Journal: J.Biol.Chem. / Year: 2024
Title: Light-driven anion-pumping rhodopsin with unique cytoplasmic anion-release mechanism.
Authors: Ishizuka, T. / Suzuki, K. / Konno, M. / Shibata, K. / Kawasaki, Y. / Akiyama, H. / Murata, T. / Inoue, K.

History

Deposition	Jan 17, 2024	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Oct 16, 2024	Provider: repository / Type: Initial release
Revision 1.1	Oct 30, 2024	Group: Database references / Category: citation / Item: _citation.journal_volume / _citation.title

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8xx8.cif.gz	712.3 KB	Display	PDBx/mmCIF format
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PDBx/mmJSON format	8xx8.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/xx/8xx8 ftp://data.pdbj.org/pub/pdb/validation_reports/xx/8xx8	HTTPS FTP

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Related structure data

Similar structure data	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	#147 - Mar 2012 Rhodopsin similarity (2) #27 - Mar 2002 Bacteriorhodopsin similarity (6) #262 - Oct 2021 Fifty Years of Open Access to PDB Structures similarity (6) #144 - Dec 2011 Complex I similarity (1) #155 - Nov 2012 Vitamin D Receptor similarity (1) #164 - Aug 2013 Serotonin Receptor similarity (1) #199 - Jul 2016 Monellin similarity (1) #217 - Jan 2018 Opioid Receptors similarity (1) #100 - Apr 2008 Adrenergic Receptors similarity (1) #58 - Oct 2004 G Proteins similarity (1) #66 - Jun 2005 Carotenoid Oxygenase similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#147 - Mar 2012
Rhodopsin
similarity (2)
#27 - Mar 2002
Bacteriorhodopsin
similarity (6)
#262 - Oct 2021
Fifty Years of Open Access to PDB Structures
similarity (6)
#144 - Dec 2011
Complex I
similarity (1)
#155 - Nov 2012
Vitamin D Receptor
similarity (1)
#164 - Aug 2013
Serotonin Receptor
similarity (1)
#199 - Jul 2016
Monellin
similarity (1)
#217 - Jan 2018
Opioid Receptors
similarity (1)
#100 - Apr 2008
Adrenergic Receptors
similarity (1)
#58 - Oct 2004
G Proteins
similarity (1)
#66 - Jun 2005
Carotenoid Oxygenase
similarity (1)

Deposited unit

A: Rhodopsin

B: Rhodopsin

D: Rhodopsin

E: Rhodopsin

F: Rhodopsin

C: Rhodopsin

hetero molecules

183 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Rhodopsin

B: Rhodopsin

C: Rhodopsin

hetero molecules

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

2

D: Rhodopsin

E: Rhodopsin

F: Rhodopsin

hetero molecules

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

Unit cell

Length a, b, c (Å)	90.220, 126.180, 97.610
Angle α, β, γ (deg.)	90.000, 104.770, 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

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Protein , 1 types, 6 molecules ABDEFC

#1: Protein	Rhodopsin Mass: 28077.568 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Salinarimonas soli (bacteria) / Gene: F0L46_11385 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A5B2VFD4

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Non-polymers , 5 types, 142 molecules

#2: Chemical	ChemComp-LFA / EICOSANE / LIPID FRAGMENT Mass: 282.547 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C₂₀H₄₂
#3: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Cl / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	... ChemComp-OLA / OLEIC ACID Mass: 282.461 Da / Num. of mol.: 34 / Source method: obtained synthetically / Formula: C₁₈H₃₄O₂
#5: Chemical	ChemComp-RET / RETINAL Mass: 284.436 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₂₀H₂₈O / Feature type: SUBJECT OF INVESTIGATION
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 85 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y
Has protein modification	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: 3.16 Å³/Da / Density % sol: 61.06 %
Crystal grow	Temperature: 296 K / Method: lipidic cubic phase / pH: 8 / Details: Li2SO4, NaCl, HEPES, PEG-200

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

Photon Factory

/ Beamline: BL-1A / Wavelength: 1.052 Å

Detector

Type: DECTRIS EIGER X 4M / Detector: PIXEL / Date: Mar 5, 2022

Radiation

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

Radiation wavelength

Wavelength: 1.052 Å / Relative weight: 1

Reflection

Resolution: 2.63→48.06 Å / Num. obs: 123100 / % possible obs: 99.92 % / Redundancy: 10.1 % / B_iso Wilson estimate: 45.29 Å² / R_merge(I) obs: 0.175 / R_pim(I) all: 0.057 / R_rim(I) all: 0.184 / Net I/σ(I): 9.4

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	% possible all
5.56-48.06	11.55	0.067	23.3	6382	0.999	0.021	0.07	99.97
4.5-5.66	10.83	0.105	18.3	6316	0.997	0.033	0.11	99.98
3.93-4.5	10.22	0.124	15.7	6277	0.996	0.041	0.124	100
3.57-3.93	11.1	0.186	11.2	6285	0.993	0.059	0.195	99.98
3.31-3.57	11.39	0.289	7.4	6262	0.985	0.09	0.303	99.98
3.12-3.31	11.53	0.405	5.5	6265	0.974	0.125	0.424	100
2.96-3.12	11.61	0.494	4.5	6280	0.968	0.152	0.517	100
2.83-2.96	11.49	0.648	3.4	6250	0.947	0.201	0.679	100
2.72-2.83	7.22	0.733	2.4	6217	0.887	0.278	0.753	99.98
2.63-2.72	3.97	0.773	1.5	6240	0.716	0.416	0.848	99.27

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Processing

Software

Name	Version	Classification
PHENIX	1.18.2_3874	refinement
XDS		data reduction
XSCALE		data scaling
PHASER	2.8.2	phasing
Coot		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.63→47.19 Å / SU ML: 0.3467 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 27.3356
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2464	3875	3.15 %
R_work	0.2088	119055	-
obs	0.21	122930	99.36 %

Solvent computation

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

Displacement parameters

B_iso mean: 49.59 Å²

Refinement step

Cycle: LAST / Resolution: 2.63→47.19 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11491	0	905	85	12481

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	12643
X-RAY DIFFRACTION	f_angle_d	0.5035	16999
X-RAY DIFFRACTION	f_chiral_restr	0.0358	1906
X-RAY DIFFRACTION	f_plane_restr	0.0038	2055
X-RAY DIFFRACTION	f_dihedral_angle_d	21.0334	4674

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 (%)
2.63-2.66	0.3224	137	0.3162	3962	X-RAY DIFFRACTION	92.4
2.66-2.7	0.3484	158	0.3064	3987	X-RAY DIFFRACTION	94.81
2.7-2.73	0.2859	127	0.2787	4316	X-RAY DIFFRACTION	99.69
2.73-2.77	0.3617	135	0.2577	4241	X-RAY DIFFRACTION	99.59
2.77-2.81	0.2975	139	0.251	4299	X-RAY DIFFRACTION	99.82
2.81-2.85	0.3039	127	0.2529	4275	X-RAY DIFFRACTION	99.77
2.85-2.89	0.2589	138	0.2386	4271	X-RAY DIFFRACTION	99.82
2.89-2.94	0.2977	140	0.236	4289	X-RAY DIFFRACTION	99.84
2.94-2.99	0.2632	163	0.2234	4251	X-RAY DIFFRACTION	99.93
2.99-3.05	0.2626	134	0.2186	4286	X-RAY DIFFRACTION	99.82
3.05-3.11	0.2209	115	0.2077	4345	X-RAY DIFFRACTION	99.96
3.11-3.17	0.2473	138	0.209	4197	X-RAY DIFFRACTION	99.93
3.17-3.24	0.2345	171	0.2118	4292	X-RAY DIFFRACTION	99.98
3.24-3.31	0.2198	118	0.1998	4278	X-RAY DIFFRACTION	99.84
3.31-3.4	0.2819	135	0.2016	4235	X-RAY DIFFRACTION	99.86
3.4-3.49	0.2591	140	0.2138	4320	X-RAY DIFFRACTION	99.93
3.49-3.59	0.2583	142	0.2015	4243	X-RAY DIFFRACTION	99.89
3.59-3.71	0.2673	125	0.1875	4339	X-RAY DIFFRACTION	99.96
3.71-3.84	0.2151	162	0.193	4181	X-RAY DIFFRACTION	99.95
3.84-3.99	0.2302	125	0.1947	4317	X-RAY DIFFRACTION	99.93
3.99-4.17	0.2187	145	0.1872	4266	X-RAY DIFFRACTION	100
4.17-4.39	0.2456	152	0.1929	4267	X-RAY DIFFRACTION	99.98
4.39-4.67	0.2075	142	0.189	4286	X-RAY DIFFRACTION	99.91
4.67-5.03	0.2541	128	0.2016	4307	X-RAY DIFFRACTION	99.98
5.03-5.53	0.2734	137	0.2199	4262	X-RAY DIFFRACTION	100
5.53-6.33	0.2633	137	0.2238	4279	X-RAY DIFFRACTION	99.95
6.33-7.97	0.1705	126	0.1897	4274	X-RAY DIFFRACTION	99.77
7.97-47.19	0.2255	139	0.1901	4190	X-RAY DIFFRACTION	97.83

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	0.985721329493	0.645835614879	0.250890102843	1.24873906587	0.553295570443	2.16343910447	-0.0358523998709	-0.0923933766887	0.0093399415189	-0.0101800096475	0.016137836803	-0.074862335873	-0.192571049833	0.22892039471	0.0311405511938	0.287757057887	-0.0283757170157	-0.0344520417175	0.433585543777	-0.0031192778199	0.390560246974	26.346	27.662	36.788
2	1.77108348732	-0.720328403086	-0.254642795815	0.32656521497	-0.52188505687	1.10563610123	-0.102229432793	-0.0350747338652	-0.0476656702956	0.0814103788265	0.160058543909	0.0094594163345	-0.139711622398	-0.0218864187725	-0.0665310375234	0.339281500514	0.023064652243	-0.0649350104322	0.384310725252	-0.0360200602225	0.303886440373	11.386	27.208	38.002
3	3.69231549562	-4.56406401368	1.2622007658	9.93172039291	0.0815479133941	3.89137248566	-0.483687246374	-0.885151157788	0.385227694196	0.313881265374	0.967171177605	-0.37951765636	-0.366896966611	0.160311313571	-0.475208511813	0.309816291753	-0.0511894015019	0.0320129377425	0.556837059457	-0.107299459346	0.350630815977	2.629	31.78	46.766
4	8.03135470425	-7.39622992834	-6.45294155538	2.04557344364	8.25866182945	9.78744564525	0.0064155435638	0.0370779550892	-0.223463392043	0.952496546133	0.346567603483	-1.82330060618	0.394240014694	-0.03061469163	-0.331584928257	0.472996220974	-0.00121989172979	-0.0405175943074	0.352203615035	0.00655473099723	0.764968668917	8.236	6.021	47.579
5	4.74161477124	-5.3412142696	0.546314914337	2.17711853517	-0.445639914757	1.14570999984	-0.30664808435	-0.494065645549	-0.146214469163	0.0734276602639	0.647244638939	0.201535521547	0.1618512873	0.047967623417	-0.341855487549	0.363231488962	-0.0572673559521	-0.0531078947396	0.505847273897	0.00928688743945	0.315519531784	15.107	20.332	50.599
6	8.40541597502	-3.84510440003	0.183901397969	2.81601067444	-1.50005696012	1.81093072009	0.196991023672	-0.0241565481228	0.390929784044	0.163076204228	-0.124321551587	0.00217854880426	-0.308437208096	0.322821303163	-0.0838167877441	0.325767953086	-0.05338559832	-0.0479811934567	0.339889902045	-0.0349070603597	0.363898110082	18.082	37.654	48.48
7	2.25086071216	-1.07551390956	0.83616783514	2.06692896438	5.87967617214	4.35117454033	-0.151760822802	-0.706437818607	-0.324363572599	-0.661618243899	0.227954697737	0.925537529562	0.290177510522	0.168145291858	-0.0800002548074	0.410014678731	-0.0228449462267	-0.0690089750375	0.376829477748	0.0262566602035	0.450079522972	26.12	11.72	45.325
8	5.61391387041	-1.68862384023	-4.06042915063	2.3003980908	3.88413221122	6.87163404557	-0.10365561822	-0.32843198766	-0.203409419081	0.986036735121	1.53954861711	-0.0819387916264	0.369443802678	-1.16641882276	-1.35832871565	0.601223836156	0.174086269339	0.0318813482381	0.578773124117	0.288468492342	0.775613496095	30.736	0.646	36.301
9	8.27682086801	6.08176357428	-2.97011879334	9.85184224144	4.93696483742	2.01384069183	0.166797877787	0.399661960894	0.00590520837097	-0.143537424557	0.14365007571	-1.24737759468	0.470257092635	0.562656227678	-0.259669333141	0.681861921834	0.135753238824	-0.0213207559245	0.446176362208	0.078879387668	0.553499371523	32.698	2.275	25.371
10	1.09556427704	0.3092297686	-0.443673719003	0.0501537212861	-0.200617563131	1.51175779473	0.0429783888905	-0.0698740415723	0.0226647280187	-0.027324693351	0.0245291833624	-0.175655377376	-0.143533092614	0.157339861493	-0.016709580028	0.370631662399	0.094979883174	-0.0547022211811	0.529436065348	0.0581599377926	0.315868693134	8.973	32.165	3.697
11	0.828995176447	-0.792147257213	-0.442433061922	2.10916948344	0.225002353578	1.44515665131	-0.0281262051463	0.0112292002549	0.121357307804	-0.00893710017188	0.0600153738078	-0.190327962928	-0.0543807775047	0.141152823715	-0.0235353247661	0.311589173209	-0.0346694400296	-0.0305794899083	0.330379029141	-0.0155075195873	0.329286180764	12.696	26.024	12.664
12	0.567368492178	-0.0794334889326	0.379018405974	8.90855810288	-0.141996659785	2.27509308177	-0.243700580948	0.250415220942	0.0449742152883	-0.24044830616	0.564716160767	-0.278318186875	0.0692379434381	0.174858105202	-0.323772021854	0.245654218455	-0.0328684460545	-0.033083891764	0.469727640068	0.0352340108867	0.33128994846	24.859	25.827	22.243
13	1.5343635628	0.624372262624	-0.222138261242	3.30841122565	-0.21028062306	1.11901772193	-0.112679622281	0.0894265071161	-0.217069989002	-0.315030383701	-0.0506072194145	-0.0946942149722	0.182352566767	0.175305349188	0.151432361654	0.418083857216	0.0502912505824	0.0209495522264	0.401893495214	0.00889325292254	0.302929437337	20.487	17.272	8.51
14	3.86229630226	-2.33136169396	1.0658572325	2.73012435934	-0.988727069455	1.36000351559	-0.0470671664487	-0.289538251423	-0.469975060195	-0.0375414902796	0.346019832977	0.23717989926	0.220496447977	0.219336802604	-0.278106480985	0.334904384076	-0.0436846875676	0.00307279636605	0.346795030233	0.0614383843965	0.281174584647	58.008	19.907	87.233
15	1.52652182331	-0.260844469043	0.447024099313	7.43659374403	-0.434846939269	0.791093191784	0.120326431657	0.105427103797	0.158793372367	-0.0169963476329	-0.172566665237	0.409754581882	-0.0411766622713	0.0520654072405	0.0521927178131	0.339926366347	-0.00493181989085	-0.0416459463134	0.305669235758	0.0212437397557	0.352494353635	56.654	34.575	83.157
16	1.39795240471	0.392381995701	0.141150555739	2.00621688298	-1.92325492812	2.10766581895	0.177376811964	-0.1478672367	-0.229776450794	-0.305510940621	-0.134559861403	-0.0331150567711	0.429095390119	0.140815435851	-0.0615247686434	0.330294969029	0.0933125033072	-0.0737395042913	0.395623851406	-0.0275365732057	0.353331051679	62.392	22.532	74.593
17	1.07484891674	0.58148463216	-0.192011155506	5.13625927342	2.21862684267	2.75254406152	0.0826569475485	0.000226047915729	-0.0775772034	0.053246241572	0.156899730561	-0.441901483819	-0.0408960909299	0.22009257139	-0.214350678116	0.330263130471	0.0638208123798	-0.0180619184161	0.465944288887	-0.00321660637373	0.306274313933	70.277	27.611	66.827
18	2.07420089655	-1.82471539183	-3.99978126807	6.76987712771	7.50717309195	8.90753810534	0.219796483725	0.228409843401	0.479700239178	-0.0143389821774	-0.278111557367	-0.235217412614	-2.12841627398	0.198603648869	-0.0298300024646	0.819525145389	-0.0272981258174	-0.10315954523	0.397993566756	0.0638616747613	0.460425683881	74.608	47.517	71.675
19	1.78604167465	-1.50879284203	0.436686344047	5.99087739141	-2.47690779541	2.42239431834	0.00247552143245	-0.0843855330247	-0.004902240703	0.370290893109	0.0252433480133	-0.291507173433	0.0261008964112	0.286231254261	-0.0379635268214	0.25310852673	0.0147285573606	-0.0448149964835	0.397007759859	-0.0230248462842	0.24427180074	72.898	26.547	80.365
20	3.08913200073	-2.57474244402	1.14109652378	2.06677610826	-5.61888243331	4.8632696921	-0.205450409581	-0.0541166509117	0.00099134755018	-0.170709019603	0.645196717719	0.766808962861	-0.0650486347221	-0.304125107057	-0.526913719329	0.356179143297	-0.0337572366251	-0.0611172175023	0.367292998625	0.00597679309143	0.389892085322	65.437	42.675	87.65
21	8.58785056387	-0.939017624158	-2.13792559484	0.176518957346	0.376439554451	0.914217170499	1.77898790538	-1.59023717904	2.9448504754	0.00850016461209	-1.18037799995	0.664167186047	-0.950267427517	0.366907413085	-0.759329284326	0.724423541925	-0.143664644026	-0.00194645357015	0.436408391726	-0.15127237558	0.64293865444	55.79	54.121	88.739
22	2.02042655072	-6.20083761605	-2.45651752391	2.05640053945	1.83035629343	2.02732714557	-0.0537134405552	-0.62661073489	-0.81170288459	0.580218255068	0.245497138074	1.27775817901	-0.0039424872549	-1.34595893769	-0.246814563012	0.539718059607	0.0656369418363	0.0606070529897	0.709719046758	-0.027524109336	0.665824167239	44.401	53.04	86.827
23	1.02696866316	-1.04555601767	0.090484581993	1.36886967225	-0.164079712009	2.60590316659	0.0303949180961	0.286662658208	-0.357848512513	-0.285057673079	0.0819650066587	0.0647174799787	0.364712851683	0.0505446943377	-0.169048852925	0.310446000983	0.06106073876	-0.0216482732204	0.417788948463	-0.0785265059884	0.393461668691	70.727	21.004	50.504
24	0.524688361638	0.964105351873	0.211131005312	2.16658525139	-1.00074314267	0.723447726664	0.0631951419576	0.340699125375	0.0118420213891	0.566623466275	0.0394111353188	-0.184023252457	-0.100634853179	0.00687650886405	-0.15543877686	0.355150159382	0.0687300264922	-0.0359702651526	0.484027467959	-0.00760694325272	0.373983605109	67.989	34.591	54.453
25	2.2749317207	0.83592428203	0.326568727587	0.612363422606	-0.718245499248	0.677940877385	-0.0465239652276	0.1103228796	-0.0681307729971	-0.0770864530876	0.0703905856916	0.141120942482	0.0897409509594	-0.0956620680971	-0.0363818416751	0.382745590522	0.0109903490469	0.0112351989746	0.447867785559	-0.0705138417996	0.298060393952	56.838	27.52	53.568
26	0.702913550711	0.944099164453	-0.22638342291	5.16143730356	0.265003881501	0.968029111262	-0.00572218597133	0.271678057357	0.220104614271	-0.421987896224	-0.0462139730816	0.490505609649	-0.0219229430616	-0.0370440510683	0.0244553030737	0.271814050949	0.0198890764422	-0.0891300203819	0.467402558115	0.000179130945983	0.393905982013	46.935	30.698	48.932
27	5.43151250047	6.5948730897	0.953320908779	2.20392242446	3.40865573798	2.27207818828	-0.317918885396	0.791960714904	-0.0986417595782	-0.00652775266405	0.812815208519	-0.4706174426	-0.181651472659	0.260962822419	-0.501901114331	0.32923288446	0.0945230713162	-0.036187773299	0.616694331023	-0.0326987475602	0.28924147627	56.252	35.892	41.135
28	6.31642607441	2.50483276544	-0.611899422611	6.90466801149	-0.131785017508	0.88606035018	0.147686637887	0.423595772262	-0.237008445274	0.283727494515	-0.14124334734	0.181793299757	0.275532580353	0.0502372459775	0.00106939369026	0.330501182012	0.105527336435	-0.0139952367834	0.566077333094	-0.0749849092917	0.33542212824	59.403	18.832	41.593
29	9.59482921304	4.0173662078	0.813944551623	2.08196355042	4.76570598942	7.29594922021	-0.176157423098	-0.153260917179	0.641672535025	0.0417063878048	-0.483387388199	-0.0153348011378	-0.437163999939	0.442707449899	0.643774697768	0.417214610143	0.00507766832492	-0.114172604205	0.416759394147	0.0208231107838	0.333143626389	68.14	45.217	45.309
30	2.17494680813	-1.73184509639	7.30240858713	6.23002098638	-2.36108939453	2.0287022136	-0.315658125683	0.556777392841	0.93554673501	0.853110581527	-0.282943690059	-0.519925669812	-1.07698486251	0.979036388189	0.509637133862	0.515795624062	-0.0399094069509	-0.0290173503705	0.49435360237	-0.0194872735825	0.571941193525	77.167	52.92	60.88
31	1.99475163757	-0.862580670049	0.274982533676	4.21202993058	-0.686330304897	1.39464154263	-0.0558680254024	-0.0778377418946	-0.256347276595	-0.168690621745	0.252813121748	0.661736526693	0.273634937664	-0.228795723073	-0.175377966628	0.356228250232	-0.0243355985332	-0.0648646978764	0.536813379864	-0.0637526765882	0.432821408803	32.317	22.552	57.525
32	1.34981089124	2.00249705347	-0.264725188086	8.49195172999	2.34945676053	1.17840917741	-0.162120738761	-0.0458187616594	0.105021542997	0.0372919075341	0.454598565288	0.246498645784	-0.105670004338	0.179951331802	-0.245738137784	0.325309290428	-0.00871562314464	-0.0434648699818	0.440833703942	0.000762464038501	0.361687041737	37.676	35.866	59.163
33	1.11596596829	0.27811646596	0.452523024407	2.00088898183	1.87347440194	2.53165872348	-0.0159318968082	0.0127749812913	-0.1158072934	0.300149049265	0.139858256858	0.00702669748529	0.270464203657	-0.0781351170022	-0.148050694966	0.2549802983	-0.0121939729097	-0.00148975171963	0.364769375007	0.0927063676432	0.412646666802	41.191	23.601	67.997
34	2.90755316276	0.237988507071	1.60130786947	5.11767563	-0.943087238407	2.29492624796	0.0397446212401	0.00508906018708	0.244094437309	0.557808963092	-0.214897388595	0.0122705503981	-0.273139488263	0.262833723952	0.1712646194	0.274896798782	-0.0397990757336	0.00443849791114	0.396574612296	-0.00126695795462	0.267887922431	46.71	34.139	74.512
35	1.97012756395	-2.26273412459	0.939151949584	9.73774411989	-2.3887887941	1.52868656132	-0.16868794041	-0.165713083993	-0.120356218644	-0.587156579369	0.31784643685	0.266263783163	0.211965846474	-0.203616844278	-0.256393209265	0.312077176701	-0.0869198571384	0.010872968331	0.48987764964	0.00570303380157	0.318838037671	41.996	23.333	82.913
36	3.14433582692	1.6469591405	0.935178906157	5.52786306385	-1.9872687927	1.58647246773	-0.132190184744	-0.313234937705	0.488992143657	0.0465001285363	0.142019061085	0.506859294865	-0.233180890975	-0.257557855422	-0.0569409555219	0.319354234145	0.0179955400646	0.02830456904	0.472099528459	-0.0718692098473	0.299614916139	34.07	39.164	76.87
37	2.08754120741	1.1697676297	0.133160299105	9.05603549334	-1.33595848881	1.43346451497	0.216791855253	-0.060736354772	-0.0267272963301	0.0725723057752	-0.252645699821	0.116999078928	0.106379771439	-0.113760591306	0.0834844128547	0.256387620443	-0.0288823836268	-0.0624305037862	0.429595177514	-0.034495669791	0.39533548226	30.072	29.871	68.809
38	3.78099784561	4.73717270047	-1.85368461687	6.2269024087	-4.28657651924	2.03769242477	0.112599321704	0.467018105872	0.555648399504	-0.0642337109151	0.753539321005	0.763318906067	0.141351325428	-0.359259345516	-0.8330291939	0.640669770398	0.0775881172316	-0.182447589249	0.513864698582	0.0609340464685	0.715120906952	39.395	54.993	50.272
39	2.00874277934	0.506276357209	0.0915914049298	2.00909844729	0.337377664977	1.20110867008	0.0696929260244	0.047167086082	0.205646620878	0.00360029975697	-0.235822978726	0.0373692812344	-0.18946753534	-0.211803990706	0.183549368219	0.321384082034	0.0472190106507	-0.0360075600574	0.433782689771	-0.036473871587	0.33333492551	-7.725	29.903	34.547
40	1.23288402976	0.239856632249	-0.0490392673872	2.1453195885	-0.183937097469	1.37270299593	-0.0245331223927	0.134761729959	-0.0251699983621	-0.235839417563	-0.0878325579285	0.226767657488	0.1121113724	-0.168019354418	0.107132424043	0.316954772958	0.037874021373	-0.0331542240851	0.473227002746	-0.053484307312	0.299534781572	-6.205	20.982	18.526
41	1.72062625561	-1.52568128237	0.565271172507	5.45740286062	-2.47568996937	2.80124628999	0.0536511014219	-0.219184739785	-0.0156001158312	0.0155671238451	-0.127435289149	0.0711662375946	0.0396545226139	-0.232188085996	0.0612610869075	0.266154313996	0.0215193201572	-0.0276660409458	0.501094333832	-0.0829910212864	0.348678504884	-11.401	18.085	32.757

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	( CHAIN A AND RESID 1:62 )	A	1 - 62
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 63:130 )	A	63 - 130
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 131:157 )	A	131 - 157
4	X-RAY DIFFRACTION	4	( CHAIN A AND RESID 158:168 )	A	158 - 168
5	X-RAY DIFFRACTION	5	( CHAIN A AND RESID 169:195 )	A	169 - 195
6	X-RAY DIFFRACTION	6	( CHAIN A AND RESID 196:221 )	A	196 - 221
7	X-RAY DIFFRACTION	7	( CHAIN A AND RESID 222:238 )	A	222 - 238
8	X-RAY DIFFRACTION	8	( CHAIN A AND RESID 239:245 )	A	239 - 245
9	X-RAY DIFFRACTION	9	( CHAIN A AND RESID 246:254 )	A	246 - 254
10	X-RAY DIFFRACTION	10	( CHAIN B AND RESID 1:33 )	B	1 - 33
11	X-RAY DIFFRACTION	11	( CHAIN B AND RESID 34:99 )	B	34 - 99
12	X-RAY DIFFRACTION	12	( CHAIN B AND RESID 100:157 )	B	100 - 157
13	X-RAY DIFFRACTION	13	( CHAIN B AND RESID 158:253 )	B	158 - 253
14	X-RAY DIFFRACTION	14	( CHAIN D AND RESID 1:32 )	D	1 - 32
15	X-RAY DIFFRACTION	15	( CHAIN D AND RESID 33:62 )	D	33 - 62
16	X-RAY DIFFRACTION	16	( CHAIN D AND RESID 63:100 )	D	63 - 100
17	X-RAY DIFFRACTION	17	( CHAIN D AND RESID 101:156 )	D	101 - 156
18	X-RAY DIFFRACTION	18	( CHAIN D AND RESID 157:168 )	D	157 - 168
19	X-RAY DIFFRACTION	19	( CHAIN D AND RESID 169:221 )	D	169 - 221
20	X-RAY DIFFRACTION	20	( CHAIN D AND RESID 222:238 )	D	222 - 238
21	X-RAY DIFFRACTION	21	( CHAIN D AND RESID 239:245 )	D	239 - 245
22	X-RAY DIFFRACTION	22	( CHAIN D AND RESID 246:255 )	D	246 - 255
23	X-RAY DIFFRACTION	23	( CHAIN E AND RESID 1:33 )	E	1 - 33
24	X-RAY DIFFRACTION	24	( CHAIN E AND RESID 34:62 )	E	34 - 62
25	X-RAY DIFFRACTION	25	( CHAIN E AND RESID 63:107 )	E	63 - 107
26	X-RAY DIFFRACTION	26	( CHAIN E AND RESID 108:168 )	E	108 - 168
27	X-RAY DIFFRACTION	27	( CHAIN E AND RESID 169:195 )	E	169 - 195
28	X-RAY DIFFRACTION	28	( CHAIN E AND RESID 196:222 )	E	196 - 222
29	X-RAY DIFFRACTION	29	( CHAIN E AND RESID 223:239 )	E	223 - 239
30	X-RAY DIFFRACTION	30	( CHAIN E AND RESID 240:254 )	E	240 - 254
31	X-RAY DIFFRACTION	31	( CHAIN F AND RESID 1:33 )	F	1 - 33
32	X-RAY DIFFRACTION	32	( CHAIN F AND RESID 34:62 )	F	34 - 62
33	X-RAY DIFFRACTION	33	( CHAIN F AND RESID 63:100 )	F	63 - 100
34	X-RAY DIFFRACTION	34	( CHAIN F AND RESID 101:130 )	F	101 - 130
35	X-RAY DIFFRACTION	35	( CHAIN F AND RESID 131:157 )	F	131 - 157
36	X-RAY DIFFRACTION	36	( CHAIN F AND RESID 158:195 )	F	158 - 195
37	X-RAY DIFFRACTION	37	( CHAIN F AND RESID 196:238 )	F	196 - 238
38	X-RAY DIFFRACTION	38	( CHAIN F AND RESID 239:254 )	F	239 - 254
39	X-RAY DIFFRACTION	39	( CHAIN C AND RESID 1:77 )	C	1 - 77
40	X-RAY DIFFRACTION	40	( CHAIN C AND RESID 78:195 )	C	78 - 195
41	X-RAY DIFFRACTION	41	( CHAIN C AND RESID 196:256 )	C	196 - 256

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