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- PDB-7y8u: Crystal structure of AlbEF homolog from Quasibacillus thermotolerans -

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Open data

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Basic information

Entry

Database: PDB / ID: 7y8u

Title

Crystal structure of AlbEF homolog from Quasibacillus thermotolerans

Components

AlbE homolog
AlbF homolog

Keywords

HYDROLASE / Subtilosin Biosynthesis / M16B Metalloprotease / Macrocyclase

Function / homology

Cytochrome Bc1 Complex; Chain A, domain 1 / Metalloenzyme, LuxS/M16 peptidase-like / 2-Layer Sandwich / Alpha Beta / PHOSPHATE ION / : / :

Function and homology information

Biological species

Quasibacillus thermotolerans (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.1 Å

Authors

Ishida, K. / Nakamura, A. / Kojima, S.

Funding support

1items

Citation

Journal: Structure / Year: 2022
Title: Crystal structure of the AlbEF complex involved in subtilosin A biosynthesis.
Authors: Ishida, K. / Nakamura, A. / Kojima, S.

History

Deposition	Jun 24, 2022	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Oct 12, 2022	Provider: repository / Type: Initial release
Revision 1.1	Jan 11, 2023	Group: Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID
Revision 1.2	May 29, 2024	Group: Data collection / Category: chem_comp_atom / chem_comp_bond

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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	7y8u.cif.gz	391.3 KB	Display	PDBx/mmCIF format
PDB format	pdb7y8u.ent.gz	266.6 KB	Display	PDB format
PDBx/mmJSON format	7y8u.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	7y8u_validation.pdf.gz	463.4 KB	Display	wwPDB validaton report
Full document	7y8u_full_validation.pdf.gz	473 KB	Display
Data in XML	7y8u_validation.xml.gz	27.9 KB	Display
Data in CIF	7y8u_validation.cif.gz	38.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/y8/7y8u ftp://data.pdbj.org/pub/pdb/validation_reports/y8/7y8u	HTTPS FTP

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Related structure data

Related structure data	7y8vC 7y8xC C: citing same article (ref.)
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI

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Assembly

Deposited unit

E: AlbE homolog

F: AlbF homolog

hetero molecules

89.9 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Idetical with deposited unit
defined by author&software
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	136.927, 136.927, 118.353
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	152
Space group name H-M	P3₁21
Space group name Hall	P3₁2"
Symmetry operation	#1: x,y,z #2: -y,x-y,z+1/3 #3: -x+y,-x,z+2/3 #4: x-y,-y,-z+2/3 #5: -x,-x+y,-z+1/3 #6: y,x,-z

Components on special symmetry positions

ID	Model	Components
1	1	E-505- HOH

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Components

#1: Protein	AlbE homolog Mass: 45754.953 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Quasibacillus thermotolerans (bacteria) Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A837GIQ1
#2: Protein	AlbF homolog Mass: 42629.371 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Quasibacillus thermotolerans (bacteria) Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A837GEN5
#3: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: PO₄
#4: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 9 / Source method: isolated from a natural source / Formula: C₂H₆O₂
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 169 / Source method: isolated from a natural source / Formula: H₂O
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: 3.63 Å³/Da / Density % sol: 66.16 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6 / Details: sodium/potassium phosphate

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Data collection

Diffraction	Mean temperature: 95 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: Photon Factory / Beamline: AR-NE3A / Wavelength: 1 Å
Detector	Type: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: Dec 15, 2018
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.1→44.82 Å / Num. obs: 74554 / % possible obs: 99.6 % / Redundancy: 30.9 % / B_iso Wilson estimate: 41.33 Å² / CC_1/2: 1 / R_merge(I) obs: 0.057 / R_pim(I) all: 0.01 / R_rim(I) all: 0.057 / Net I/σ(I): 44.6
Reflection shell	Resolution: 2.1→2.15 Å / Redundancy: 31.8 % / R_merge(I) obs: 0.926 / Mean I/σ(I) obs: 5.7 / Num. unique obs: 4535 / CC_1/2: 0.97 / R_pim(I) all: 0.165 / R_rim(I) all: 0.94 / % possible all: 98.9

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Processing

Software

Name	Version	Classification
PHENIX	1.20.1_4487	refinement
XDS	20180808	data reduction
Aimless	0.7.3	data scaling
PHENIX	1.11.1_2575	phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.1→41.92 Å / SU ML: 0.1846 / Cross valid method: FREE R-VALUE / σ(F): 1.27 / Phase error: 23.4286
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2274	3524	4.73 %
R_work	0.2033	70973	-
obs	0.2044	74497	99.42 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 67.38 Å²

Refinement step

Cycle: LAST / Resolution: 2.1→41.92 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5889	0	86	169	6144

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0016	6102
X-RAY DIFFRACTION	f_angle_d	0.3843	8224
X-RAY DIFFRACTION	f_chiral_restr	0.039	909
X-RAY DIFFRACTION	f_plane_restr	0.0026	1035
X-RAY DIFFRACTION	f_dihedral_angle_d	11.8598	2249

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 (%)
2.1-2.13	0.2812	107	0.245	2832	X-RAY DIFFRACTION	98.66
2.13-2.16	0.2496	157	0.2373	2754	X-RAY DIFFRACTION	98.41
2.16-2.19	0.2746	156	0.242	2790	X-RAY DIFFRACTION	98.79
2.19-2.23	0.2834	144	0.231	2798	X-RAY DIFFRACTION	99.26
2.23-2.26	0.2339	117	0.232	2835	X-RAY DIFFRACTION	99.19
2.26-2.3	0.2333	164	0.2211	2750	X-RAY DIFFRACTION	99.05
2.3-2.34	0.2257	106	0.2132	2824	X-RAY DIFFRACTION	99.02
2.34-2.39	0.2708	131	0.2181	2829	X-RAY DIFFRACTION	99.1
2.39-2.44	0.2449	145	0.2187	2802	X-RAY DIFFRACTION	99.26
2.44-2.49	0.228	122	0.2128	2850	X-RAY DIFFRACTION	99.36
2.49-2.55	0.2167	162	0.2138	2815	X-RAY DIFFRACTION	99.37
2.55-2.61	0.2612	175	0.2274	2760	X-RAY DIFFRACTION	99.49
2.61-2.68	0.2539	181	0.2315	2801	X-RAY DIFFRACTION	99.33
2.68-2.76	0.28	132	0.2434	2824	X-RAY DIFFRACTION	99.23
2.76-2.85	0.3114	115	0.2484	2868	X-RAY DIFFRACTION	99.67
2.85-2.95	0.2639	134	0.243	2827	X-RAY DIFFRACTION	99.66
2.95-3.07	0.25	124	0.2308	2892	X-RAY DIFFRACTION	99.54
3.07-3.21	0.258	130	0.2176	2816	X-RAY DIFFRACTION	99.73
3.21-3.38	0.2399	150	0.2174	2852	X-RAY DIFFRACTION	99.8
3.38-3.59	0.2551	140	0.1989	2877	X-RAY DIFFRACTION	99.77
3.59-3.87	0.2134	125	0.1876	2863	X-RAY DIFFRACTION	100
3.87-4.26	0.191	148	0.1764	2879	X-RAY DIFFRACTION	99.97
4.26-4.87	0.2003	148	0.1576	2897	X-RAY DIFFRACTION	99.97
4.87-6.13	0.1961	153	0.2009	2904	X-RAY DIFFRACTION	99.97
6.14-41.92	0.2036	158	0.1921	3034	X-RAY DIFFRACTION	99.78

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	3.77794144112	5.99256080201	1.03247987781	9.50495605246	1.41247640581	6.43719271426	0.136393830432	-1.12851489827	-0.377631575894	0.376580666922	0.0144876887473	-0.736696001856	-0.306219575921	0.591308058242	-0.119049660198	0.625764945175	-0.0651288890545	0.0318690957256	0.725320894768	0.0143570830145	0.412137806032	-31.3752848608	57.9477021171	17.130528482
2	6.11779411563	-4.59583343112	-1.47998492739	3.55349478607	1.75184826075	4.31963399796	0.12628480849	0.919900830244	-1.3622496112	0.717951434343	-0.454208043921	1.20785589373	1.34577268344	-0.0411977658658	0.251013226101	0.494886972665	-0.060232598547	0.0908416840591	0.320134589895	-0.146145916534	0.625158448125	-38.4538733584	47.8823147556	5.12552681803
3	5.14630837857	3.86944337543	0.793809809396	7.61491777338	-4.52220639457	5.66091358006	-0.467720709129	-0.0230786830016	0.341025144354	-0.530391056268	0.587935725333	-1.30892317793	-0.0921018530475	0.717438058293	-0.0765840204548	0.221208849689	-0.14120667765	0.0537359251391	0.462168263451	-0.111737895451	0.370020364583	-29.5186547626	61.0635197872	4.55540123578
4	1.67539223067	-1.26455630981	-0.618002151051	2.71863476276	-1.0694504868	2.45124097218	0.963711006148	-0.609458979825	1.83909196504	2.02837357432	0.0105380069424	1.21621464272	-1.12936335598	-0.0217831042201	-0.861549785459	0.900203514122	-0.104314291552	0.401115955034	0.826524814235	0.0767216686416	1.79613862566	-32.8005055195	81.7847278134	-2.19698254269
5	5.05675573619	-1.80207466241	-0.596730095238	9.34409899769	-2.35861343413	3.83855783283	0.0293103364481	1.16433921596	0.105959283209	-0.459866495888	-0.169435385233	0.0806033438577	0.0802524904453	-0.107305086531	0.127332401021	0.306937357274	-0.0563757867106	0.0653758135458	0.753999002591	0.0833307319008	0.324716822983	-25.31334136	67.4506023219	-10.4442683691
6	2.08779264382	2.26148947951	-0.869603812563	2.4483459234	-0.603071133065	3.9734911832	0.195171163237	0.590629659263	0.00923171843022	-0.891170990518	-0.350517867613	-0.305909706015	0.310752695917	0.245387327541	0.0980414071572	0.290113563555	0.00697771979764	0.0644887492699	0.684280333484	-0.00891660913859	0.402276760046	-28.3134794648	58.0872904525	-5.39774925632
7	4.99276941926	-4.60113038625	-4.26820846564	4.45137189363	2.96919460383	8.14346725393	0.111273421834	0.390686300416	1.66422096655	0.177677816443	0.420981433519	0.602812665911	-1.16963979366	0.0597695669071	-0.452676489807	0.531972916801	0.0380467982221	0.082663661775	0.558130257918	0.18389023659	0.906159447311	-38.7449811557	75.334965133	1.48928620215
8	2.08840213935	-1.90987591815	1.27139035986	2.13381789529	-0.85203403132	1.1943800063	0.241402913443	0.41183425123	0.121022966032	0.182733505204	-0.731235449805	-0.0514679939964	0.011617514939	0.02775380305	0.454223064556	0.364188588843	-0.117260901866	0.0542546791424	0.548808617813	-0.0081867803658	0.412102114578	-29.6831844339	61.8784271317	0.286643554677
9	9.47878816167	4.44837930526	2.34010030354	3.12221546384	3.95318069857	8.43469414699	0.290414774111	0.252100541224	-1.1801212933	0.169859586714	-0.674957299088	-1.62386143157	0.585567187031	0.868806026228	0.340877192163	0.604958240215	0.0174005643767	0.000867147877242	0.705135569594	0.0862427892627	0.745300736953	-23.3228645896	46.798653663	1.9432470756
10	6.37109838656	1.77245998088	-1.55608601255	3.43275350857	-4.89629454355	8.02209513425	0.394802116973	-0.927170394584	-0.372553898378	-0.203815450626	-0.590037131363	-1.04957657122	0.677758088568	1.32209771728	0.22333349796	0.388412349444	-0.0108868886183	-0.00532381568782	0.814603867792	0.0667832607316	0.572545978176	-15.8339082728	62.1820734532	-2.10726359999
11	8.33849558161	0.274763277107	-0.530348847464	5.89919226045	-0.883060131826	7.68718800979	-0.325276314439	1.95061539921	-0.639362652586	-0.710168893968	0.0842526002183	-0.264850552013	0.901468035345	0.0481635490681	0.251254471664	0.416955558331	-0.0943875562781	0.120305578836	0.921297286446	0.0382189887748	0.385469167411	-18.4136021091	67.975728487	-17.144354948
12	6.44791457431	-2.8152102515	-0.0955936084581	5.8960916961	0.0899711101866	1.43296722394	0.252076148841	2.83518234315	0.198071463364	-0.971999569907	-0.0755072115795	1.36456342952	0.364685075966	-1.26318476795	-0.326264920643	0.546678887152	-0.0667974189547	-0.154514218639	1.62822845488	0.341316865785	0.765135562774	-36.2976722263	72.0656059645	-18.6870297655
13	6.70983956985	-2.33007713261	-1.61562277394	6.69910041202	1.05671375938	6.70494960075	0.602253006039	1.940925701	0.793258116305	-0.632468716507	0.409293061367	0.387782059662	-0.560366699343	-1.41645828217	-0.709394925564	0.647841267012	0.182794127583	0.143344203331	1.46226369552	0.747087823757	1.64285569836	-50.9324212801	80.2488455326	-11.4207596263
14	4.75614208304	-1.70172605253	-2.48460075994	0.718287146998	0.757419096914	1.4566287591	0.511030314377	1.03164878539	1.62025241204	-0.1677427334	0.395805574721	1.07334255138	-0.626587142626	-0.428816434785	-0.732548904607	0.604301862631	0.056881337272	0.169994131075	1.22342574233	0.691060768858	1.4029521129	-36.5856416537	81.35328899	-13.2739667036
15	7.85228730027	2.7929424726	-4.89473724066	7.66684393001	-3.50401630552	8.13137683255	0.399659566501	0.407427474681	0.206507410184	0.514784736246	-0.0493928590132	0.128853858283	-0.325020378808	-1.17065054046	-0.363447045673	0.320704359194	-0.0314250847501	0.0357943259413	0.718179515478	-0.0228414975665	0.366308454252	-19.4723280871	73.9019775114	-4.78430590645
16	4.56219422506	4.56262302186	-0.640797122612	4.63984127248	-1.29674277197	5.08966882925	0.0540469453343	-0.215664948708	0.21755024203	-0.189965214441	-0.517614976172	-0.661046834784	-0.0688678106952	0.237920410137	0.487952427623	0.424583309044	-0.153777301889	-0.0345317430012	0.463076768729	-0.068741561162	0.436228380467	-30.5485278189	60.4150236348	8.66227168229
17	6.10296638606	-1.04329847693	-5.46610266451	8.30525742983	1.85952533666	5.45692197928	0.0528656985801	-1.01847861594	-2.05485553786	1.03712655329	0.0646042026207	-0.784085205682	1.71758200005	0.605268994774	-0.148160781831	0.660304873415	-0.0393929091823	0.0193476243258	0.469053297065	0.0516035453742	0.529445318838	-34.1674829191	49.0627555596	10.7517754453
18	8.42562823151	4.94065827903	-7.68861049404	2.94284248487	-4.52132161838	8.66884026661	0.159856833852	-0.830711160413	0.520845511332	-0.550743626664	-0.237960093226	0.12604729525	-0.28994876418	0.989833304446	0.111726465144	0.455085273976	-0.136555126342	-0.0456774957563	0.646221485678	-0.087101890871	0.316556220056	-33.0116778405	58.2406685376	12.916360394
19	4.17077940009	-3.88648677946	2.50089869674	3.66167326582	-2.38220853998	2.6807806605	0.893872267723	0.00392568232352	1.28018636079	0.201357208917	-0.359316676009	0.427138169676	-0.625402822752	0.287869829663	-0.384649295684	0.902405808105	0.0181525129317	0.147599585916	0.603560165392	0.125288794909	1.39327160998	-41.6558364935	77.9917932135	7.28690709269
20	2.63986017394	0.802971060533	-1.52288988689	4.13868619588	1.12931851994	1.53928959232	0.00132104908582	1.30080370865	0.84392604095	-0.673537872726	0.653259612113	0.32299947511	0.260853584283	-0.949569893833	-0.566999816295	0.8611507639	0.351760218475	-0.025336744116	1.17087400661	0.625846790285	1.57011469997	-57.8878300971	85.1462566174	-17.3367490243
21	6.29990137114	0.0709767383073	4.55701874395	5.56157463785	-1.29573003321	3.64263529627	0.269120317644	1.20763067918	2.21512040381	0.290852599632	-0.381854944961	0.562315527464	0.0296047923983	0.556455153796	0.055808639025	0.521693777196	0.0704744171438	0.185622601147	0.753390403692	0.315026444697	1.284807163	-57.2659104504	78.3378845446	-0.41039580561
22	7.41025858513	-0.421690952977	3.21129786855	8.97983991591	-1.82825337356	2.23628572338	0.0691435681349	0.831429856636	1.40434856169	-0.323658089874	-0.156382550711	0.625808117807	0.0569369699128	0.317727310345	0.0951342404935	0.361633846082	0.0284631471744	0.0902993193544	0.593901817736	0.0640988455244	0.670231051605	-57.6642501111	68.4208317885	4.16001583557
23	4.78072601862	-0.249763898794	5.64817081958	0.925979865379	-0.15737743323	6.71250397392	0.0051678304998	0.890889795039	-1.82675013428	-0.00138648724371	0.543542439633	0.216049572606	0.161948474261	-0.833024223996	-0.505199609932	1.06054494935	-0.246230453213	-0.0337727477013	1.94806197487	0.236480972284	1.17956456331	-70.4484353753	66.6253274081	-7.73214432592
24	2.83785174682	-1.06727146519	2.95134682432	6.88784668476	4.05012024395	7.20600723868	0.168906834585	1.56841725395	0.690697841387	-0.684942954051	1.02227607289	-0.474193997607	0.125533400204	0.053333967529	-0.778814298667	0.481485151234	0.0363811605173	0.119128997191	1.19561136367	0.480517659123	0.81617315024	-56.1232948481	70.6223313475	-5.79002990004
25	0.35226454352	-0.419720906557	0.513948519635	1.87342147359	2.12842033252	6.20328581299	-0.168782991389	0.269211203348	0.593862264863	-0.34341814406	0.357939951917	-0.433198244866	-0.246958747654	0.902170239134	-0.130680278808	0.360842620291	-0.0238119439193	0.209801883019	0.445091091629	0.204773403049	1.426572265	-49.6199519158	77.2556689569	-0.0191966597378
26	0.633252991262	1.03485224786	-0.0494541683962	3.66462343557	-0.310714450195	0.0296189931878	0.537395498347	2.4165995287	1.12495963317	-0.882800606382	0.269640090561	0.0889150218535	-0.163169099085	-0.726618910082	-0.677111669704	0.389459885224	0.223975625007	0.0565966870756	1.53052553744	0.508398479239	1.06689922151	-59.6447291333	74.1684353324	-9.48968571312
27	0.849473295226	-1.54334715702	2.12574775578	3.98507410811	-3.93456283363	5.36881710882	-0.08002383307	1.37923427719	1.16499699524	0.0975720633662	0.530219375852	0.301766973099	-0.804237062146	-2.36599025832	-0.428408379351	0.634865638997	0.174411251241	0.00261259414782	1.56280300021	0.502913921884	1.23534867677	-70.2095248177	77.50328968	-6.40182520611
28	4.08621994362	-4.21495670414	-2.51623169547	4.64044959675	1.83278072058	3.18825844743	0.423673890435	0.714340569946	-0.139537241971	-0.33002938812	-0.156733628268	-0.0856573669656	-0.316835958578	-0.156857403572	-0.260209856327	0.26585111959	-0.11960315997	0.0123946825406	0.604136005564	-0.118381308208	0.313310979615	-57.0662816242	57.7575356694	4.89849720722
29	9.52876198006	-1.78594097695	-2.17938960428	8.89754736837	3.66908785408	2.32999377578	-0.105993318281	1.13092666944	1.29145900816	-0.0561311549635	-0.465713435262	0.949519529295	-0.0776707859069	-0.399140717201	0.565642509319	0.242961225046	-0.0773692200001	0.0175759915788	0.426383437546	-0.00497303645011	0.624591311091	-40.3698363369	61.0021642308	4.4970063262
30	8.22212911826	-4.70925354379	-1.48317095387	5.30743931114	1.48722857654	3.82627793715	0.365477709249	-1.15029236682	1.09339180953	0.673771149617	-0.905956318001	0.115217944609	-0.753882027779	-0.230594780646	0.299473366344	0.756930451652	-0.259694668844	0.054452195483	0.725464738415	-0.383017895122	0.904966863624	-43.946464299	65.2678816069	13.7456884416
31	3.49425926226	-5.13728219052	-1.32405205138	8.30422392872	-0.00841508421652	5.73562402431	-0.417875709216	-1.87142826316	0.85041137718	0.735017647895	0.48093390078	-0.286668038767	0.310914242689	-0.580564619599	-0.154472887739	0.301363642492	-0.0577983764082	0.00124142198833	0.601611027046	-0.144186052469	0.332226961034	-52.7865722454	59.8929476985	13.6772584216
32	0.154827179541	-0.483973889676	-0.743639666541	7.62256101715	-1.39432818201	5.69771864684	0.557334875573	-0.796055498591	2.17654100198	0.0479129003655	-0.0423083029134	0.0131132450297	-0.639319018717	-0.382922549329	-0.520419533112	0.359544294631	0.0393652866704	0.144051164327	0.719662597345	-0.248536240762	1.19461754057	-63.5110360927	74.0542518462	10.7163412884
33	2.91712386308	-0.930717892486	1.12762126602	2.84084743391	-1.16072902797	0.685350385991	0.534250173136	1.2930765567	1.56929755831	-0.941133507307	-0.663880750812	-0.377098312006	-0.293989507132	0.0882834128826	0.32918694001	0.461258036962	0.449809577119	0.167227292833	1.23361236008	0.529607394344	1.73158778865	-60.0043773217	82.855873034	-6.27758206374
34	1.29046872121	-0.72169081315	0.563123575067	5.87307958537	-1.14327520464	6.11352903266	0.0795674939398	-1.47731052065	-0.20602278782	0.744359634797	-0.10006460906	-1.59071775697	-0.0811509519728	0.525822294779	0.00801326884736	0.660741653234	0.355043557333	-0.175864934868	0.822737190569	-0.106544002117	0.724729589554	-34.18059817	34.7956887764	0.446114391916
35	5.15144843612	3.50654938253	0.895118731805	3.41291236742	-0.21771397995	3.22986251314	-0.847713469335	-0.10262659819	-0.449473999854	0.0706509502628	0.590485380113	-0.191162039038	1.08266288534	0.783250545688	-0.332775111355	0.425732326717	0.242353920256	-0.0368518756947	0.504577217576	-0.0783705529175	0.28135383714	-51.7863420605	31.3957042826	-1.7405547301
36	1.99725652878	-0.464424174165	-7.51371494283	3.82147675476	-2.21985598604	7.11525874609	-0.421913312476	-1.01773770717	-0.595515212952	1.23419804906	-1.09076050689	0.00677157021045	1.05567508913	1.11223200821	0.414921472203	0.667291734153	-0.0614414519978	-0.140886826611	0.69168926275	-0.14714429048	0.3946001461	-46.9671443432	46.8145035461	7.30970506222
37	2.8046832719	-0.73356612645	-1.25258239719	2.82220196133	-1.06578995748	1.29765008932	-0.0654495444085	0.83998344145	0.229529653858	-0.305910675303	0.448633253735	-0.0751730551199	0.324513850187	0.557516734237	-0.320811302601	0.272588940684	-0.06970584888	-0.0205335783313	0.513535170307	-0.0358770411648	0.265268938109	-57.2689533272	39.080592864	-12.6987065602
38	4.03451095678	-3.29951479731	2.78591804991	3.03606727479	-3.91432834475	9.86601582839	-0.618402042683	2.34110067059	-1.04600331612	-0.65600974128	-1.34981765975	-2.04463730568	0.994273390194	-0.0279147206642	1.67822518728	1.00229633299	-0.176626880976	0.184708172034	0.912594045876	0.171208042022	0.766587526115	-63.9156642136	38.2564606548	-27.6326556994
39	3.3452988631	-0.403523557642	0.400995139809	2.03794006979	0.72840090432	4.13438594077	-0.204434663292	-0.0991256330995	0.211273389055	0.0619125852226	0.227525479856	0.0452212063186	-0.0817661929754	-0.273230004546	-0.0171771376966	0.203072059137	0.00442103341622	-0.0450360657029	0.265068576619	-0.00240446420469	0.208449951558	-66.064545686	43.4938659103	-7.65889389806
40	4.55341848741	-0.132948572147	-3.26789416416	5.80491518785	-0.466206756951	3.3117387073	0.281453652051	0.5163110083	1.11969014962	-0.360954390632	0.312803337884	0.672979217298	-1.2236199567	-1.03799676274	-0.396502031907	0.587078036817	-0.00280464978933	-0.161561402261	0.585552092089	0.143742477264	0.385531465913	-72.6992141346	51.1575301609	-22.1441065065
41	7.8388794662	6.70724518989	1.26952373597	9.56851548038	-0.442053123619	1.76779833807	-0.753956275469	1.08225201542	1.92347694236	-0.905316255245	-0.0359292097141	-2.41710669657	-0.580728429248	1.8179191569	0.376604868299	0.875089344775	-0.32056601201	-0.034901882368	1.16350171455	0.214106214942	1.03773034561	-57.5857173728	49.244873944	-27.2884518404
42	7.80291822172	2.5557863005	-4.6192363782	3.17043833872	0.211791066018	4.14990238915	-0.120140629309	0.459788593399	0.211944433189	-0.253778877556	0.176838315158	-0.138814660749	-0.630542551478	-0.394509357375	-0.0395056438479	0.582706423879	-0.132362276314	-0.111805546907	0.841676348773	0.0135445349437	0.324508615507	-72.6329510904	43.5568862561	-28.4997755253
43	6.15065506227	-1.33505173196	1.8247562248	2.94275605704	-0.287476791804	3.37336827364	-0.0690666726686	0.4180648307	-0.341384569002	-0.406907153374	0.143696911681	0.297883271815	0.242827279175	-0.0249550930573	-0.082489471762	0.359307783585	-0.0450281524515	-0.0186347012604	0.298266361193	-0.0115193973405	0.217423624296	-64.8760077834	33.5290566631	-14.0188723592
44	6.53944727545	3.46500594928	-3.0611748073	6.31895334307	-1.38828855651	1.41875858282	0.235556869929	-1.04308574434	-0.217191252272	0.881960009672	-0.103759899932	-0.2166241103	0.573187960522	0.450338020902	-0.17713847351	0.510687494055	0.139565431016	0.00508560311845	0.47043473048	-0.0189100669434	0.282531224288	-59.6580890007	32.1835063307	4.1802923141
45	4.83394158475	1.52752542291	-3.22903066976	1.73517568601	-1.52745478415	4.83762127809	-0.0846719919418	0.987640178861	-0.097715526756	-0.394248521286	0.317014595717	-0.165168926384	1.16071740851	-0.327705260008	-0.230929575757	1.04158390469	-0.0367237043256	-0.0171225957653	1.01477758375	-0.0662561705733	0.682920147493	-62.6515259101	28.7948303844	-20.3587283279
46	4.06457346622	-4.13094304015	3.85918463472	4.21187667466	-3.88405353156	3.70371421172	1.11476655713	1.06460111237	0.971898596054	-0.032877703793	-0.548141548716	1.05591891152	-0.422258162428	-0.708364265541	-0.6284625255	0.620118807504	0.0252773051997	0.163738181251	0.83550236297	0.152450260155	0.788810358839	-46.8240876698	41.8027468112	-36.5784770855
47	3.060281366	2.62736889143	0.560319269603	6.249622755	2.70857782854	1.700252759	-1.41320835848	-0.745443874332	-1.02892952807	0.305216707857	1.07529857962	-0.487864989894	1.36447031155	0.952886687032	0.734224888599	0.660598188716	0.131889805309	0.0514510419416	0.475698084012	-0.0104034677603	0.480638646459	-37.6929261332	29.4705366414	-25.1893237793
48	7.77087866509	4.31263664673	-4.01482771535	8.05314452295	-3.44366074557	8.36964249779	-0.000408393011417	-0.535786266661	0.512858675455	-0.0303903706018	0.0776491976335	-0.184982361796	-0.215354548101	1.06313865342	-0.0451271226743	0.339437785127	-0.0790897293223	0.0337468855295	0.40804488585	-0.0624378674488	0.32292264622	-37.5183395274	35.7701613847	-21.3743458875
49	6.4707538953	7.27082688267	-4.35136824782	9.49893060398	-7.48063847039	8.05184278121	1.1824804398	-0.0404089650571	1.97799140932	-0.362296683083	0.645693734086	-0.261991764859	-1.76340319712	1.24868626602	-1.47741411302	0.672959878161	-0.263000100122	0.360812482992	0.734078382744	-0.178819473217	0.702230743984	-30.606894072	49.6307921033	-28.9084357608
50	2.16078700476	3.44770210373	-2.1013885757	5.48146128978	-3.35058561779	2.04546653995	0.3011045255	0.563224801966	1.69728031637	-0.917528807242	0.255779789827	0.204973838006	-1.09393271709	0.150480258759	-0.517614948203	1.38555972231	-0.212653896181	0.485223064427	0.764857510366	0.109627512341	1.60670572777	-36.0160895661	52.9250939636	-34.2051896441
51	5.16599639987	-0.588391155548	-2.9551095387	5.87776535827	-2.14265046711	2.75448142123	-0.0982903589997	0.256268675865	0.55174266887	-0.66830028529	0.597235745891	0.475211077044	0.333483384055	-0.448840460312	-0.496913821629	0.429609323091	-0.163308971279	-0.011023634366	0.39756672636	-0.0164761062848	0.457393674066	-45.953167795	36.6795010423	-24.9918346359
52	8.39819196545	-1.42264444129	0.971746406777	3.86001188819	0.577492089206	4.80070851116	0.802118981002	0.253282956802	0.898281896166	-0.273039865817	-0.194218307642	-0.252281287085	-0.0352750361055	0.368526190444	-0.442102106321	0.843420210048	-0.204486120233	0.268361514909	0.650272119095	0.083184654416	0.592023576541	-32.6743722203	44.4800840636	-37.0184946484
53	4.17590182801	3.78811893122	-4.43516946952	4.79345910086	-4.82278101615	5.18892601216	0.295870665603	-0.188122605542	-0.43655589457	0.330457282596	-0.511376058458	-1.11102702202	-1.55095092078	2.25528115641	0.15877869674	0.441648580445	-0.167072127096	-0.0850365854618	1.09671474138	-0.0856076987218	0.678236329701	-26.2961061602	41.9482614573	-18.6393030432
54	3.09405077303	0.555451240081	-4.56682929749	4.15001484079	-1.0592459482	6.77258341651	-0.227830948264	0.0126509805916	1.34848934019	-0.832930540134	-0.00589702496826	0.501258207402	-0.871388783627	-0.482752800222	0.253439911732	0.41538506722	-0.00890713562851	-0.166080643962	0.494822449791	-0.174211548663	0.605121868923	-38.5704766869	45.7201010307	-5.72192454896
55	8.15014412731	-0.766581815649	-1.44299502227	2.14858845801	-1.09716824155	7.81888705207	-0.350676730008	-0.165521037451	0.365840585701	-0.0373780611547	0.35001189496	-0.30634635259	0.189149243761	0.180243491109	-0.00431234138485	0.293067886416	0.00571912662081	-0.0104227316183	0.311324374665	-0.0424610573741	0.332074767782	-45.4774955927	38.1730205963	-10.5248922935
56	4.94354128374	3.54708114786	-5.37644587015	3.9943301745	-4.09745541118	5.87616562912	-0.703622769986	-0.560707281154	-0.345350157704	-0.283334142411	0.230333163383	-0.72188965598	1.00025742554	1.54747020233	0.447576425987	0.394476102377	0.162868566644	-0.0321079003203	0.647737437048	-0.0806263962485	0.507445914282	-32.5615800398	32.2916943548	-12.8576199855
57	9.47905201831	-4.5550476969	6.67281972336	3.5997477351	-4.16031694777	5.3451832275	0.536187147864	0.164796105103	-0.368931964601	-0.768604042868	0.368223841926	-0.0492990647041	2.23457083688	0.288256867746	-0.748827583821	0.70419078265	-0.0377774720138	0.072450523547	0.608358469015	-0.0819331750344	0.5318013842	-32.7372579678	33.972296234	-34.4237765851

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 'E' and (resid -2 through 7 )	E	A	-2 - 7	1 - 10
2	2	chain 'E' and (resid 8 through 13 )	E	A	8 - 13	11 - 16
3	3	chain 'E' and (resid 14 through 21 )	E	A	14 - 21	17 - 24
4	4	chain 'E' and (resid 22 through 32 )	E	A	22 - 32	25 - 35
5	5	chain 'E' and (resid 33 through 50 )	E	A	33 - 50	36 - 53
6	6	chain 'E' and (resid 51 through 63 )	E	A	51 - 63	54 - 66
7	7	chain 'E' and (resid 64 through 69 )	E	A	64 - 69	67 - 72
8	8	chain 'E' and (resid 70 through 77 )	E	A	70 - 77	73 - 80
9	9	chain 'E' and (resid 78 through 90 )	E	A	78 - 90	81 - 93
10	10	chain 'E' and (resid 91 through 101 )	E	A	91 - 101	94 - 104
11	11	chain 'E' and (resid 102 through 109 )	E	A	102 - 109	105 - 112
12	12	chain 'E' and (resid 110 through 125 )	E	A	110 - 125	113 - 128
13	13	chain 'E' and (resid 126 through 140 )	E	A	126 - 140	129 - 143
14	14	chain 'E' and (resid 141 through 160 )	E	A	141 - 160	144 - 163
15	15	chain 'E' and (resid 161 through 178 )	E	A	161 - 178	164 - 181
16	16	chain 'E' and (resid 179 through 184 )	E	A	179 - 184	182 - 187
17	17	chain 'E' and (resid 185 through 188 )	E	A	185 - 188	188 - 191
18	18	chain 'E' and (resid 189 through 192 )	E	A	189 - 192	192 - 195
19	19	chain 'E' and (resid 193 through 206 )	E	A	193 - 206	196 - 209
20	20	chain 'E' and (resid 207 through 217 )	E	A	207 - 217	210 - 220
21	21	chain 'E' and (resid 221 through 234 )	E	A	221 - 234	221 - 234
22	22	chain 'E' and (resid 235 through 250 )	E	A	235 - 250	235 - 250
23	23	chain 'E' and (resid 251 through 264 )	E	A	251 - 264	251 - 264
24	24	chain 'E' and (resid 269 through 276 )	E	A	269 - 276	265 - 272
25	25	chain 'E' and (resid 277 through 280 )	E	A	277 - 280	273 - 276
26	26	chain 'E' and (resid 281 through 286 )	E	A	281 - 286	277 - 282
27	27	chain 'E' and (resid 290 through 308 )	E	A	290 - 308	283 - 301
28	28	chain 'E' and (resid 309 through 330 )	E	A	309 - 330	302 - 323
29	29	chain 'E' and (resid 331 through 341 )	E	A	331 - 341	324 - 334
30	30	chain 'E' and (resid 342 through 346 )	E	A	342 - 346	335 - 339
31	31	chain 'E' and (resid 347 through 359 )	E	A	347 - 359	340 - 352
32	32	chain 'E' and (resid 360 through 369 )	E	A	360 - 369	353 - 362
33	33	chain 'E' and (resid 370 through 378 )	E	A	370 - 378	363 - 371
34	34	chain 'F' and (resid 2 through 14 )	F	B	2 - 14	1 - 13
35	35	chain 'F' and (resid 15 through 29 )	F	B	15 - 29	14 - 28
36	36	chain 'F' and (resid 30 through 34 )	F	B	30 - 34	29 - 33
37	37	chain 'F' and (resid 35 through 46 )	F	B	35 - 46	34 - 45
38	38	chain 'F' and (resid 47 through 51 )	F	B	47 - 51	46 - 50
39	39	chain 'F' and (resid 52 through 117 )	F	B	52 - 117	51 - 116
40	40	chain 'F' and (resid 118 through 133 )	F	B	118 - 133	117 - 132
41	41	chain 'F' and (resid 145 through 153 )	F	B	145 - 153	133 - 141
42	42	chain 'F' and (resid 154 through 164 )	F	B	154 - 164	142 - 152
43	43	chain 'F' and (resid 165 through 186 )	F	B	165 - 186	153 - 174
44	44	chain 'F' and (resid 187 through 200 )	F	B	187 - 200	175 - 188
45	45	chain 'F' and (resid 201 through 215 )	F	B	201 - 215	189 - 203
46	46	chain 'F' and (resid 221 through 227 )	F	B	221 - 227	204 - 210
47	47	chain 'F' and (resid 228 through 232 )	F	B	228 - 232	211 - 215
48	48	chain 'F' and (resid 233 through 243 )	F	B	233 - 243	216 - 226
49	49	chain 'F' and (resid 244 through 254 )	F	B	244 - 254	227 - 237
50	50	chain 'F' and (resid 255 through 260 )	F	B	255 - 260	238 - 243
51	51	chain 'F' and (resid 261 through 274 )	F	B	261 - 274	244 - 257
52	52	chain 'F' and (resid 275 through 294 )	F	B	275 - 294	258 - 277
53	53	chain 'F' and (resid 295 through 309 )	F	B	295 - 309	278 - 292
54	54	chain 'F' and (resid 310 through 319 )	F	B	310 - 319	293 - 302
55	55	chain 'F' and (resid 320 through 334 )	F	B	320 - 334	303 - 317
56	56	chain 'F' and (resid 335 through 347 )	F	B	335 - 347	318 - 330
57	57	chain 'F' and (resid 348 through 364 )	F	B	348 - 364	331 - 347

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