PDB-8a36: Crystal structure of PpSB1-LOV-K117E mutant (dark state), monocli...

ID or keywords:

Entry

Database: PDB / ID: 8a36

Title

Crystal structure of PpSB1-LOV-K117E mutant (dark state), monoclinic form

Components

Sensory box protein

Keywords

SIGNALING PROTEIN / LOV domain / short LOV / PAS domain / Photocycle / Dimerization / Signaling blue light photoreceptor

Function / homology

Function and homology information

nucleotide binding
Similarity search - Function

Biological species

Pseudomonas putida KT2440 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.7 Å

Authors

Batra-Safferling, R. / Granzin, J.

Funding support

Germany, 1items

Citation

Journal: To Be Published
Title: Crystal structure of PpSB1-LOV-K117E mutant (dark state), monoclinic form
Authors: Batra-Safferling, R. / Granzin, J. / Krauss, U.

History

Deposition	Jun 7, 2022	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jul 5, 2023	Provider: repository / Type: Initial release
Revision 1.1	Jul 19, 2023	Group: Refinement description / Category: struct_ncs_dom_lim Item: _struct_ncs_dom_lim.beg_auth_asym_id / _struct_ncs_dom_lim.beg_auth_comp_id ..._struct_ncs_dom_lim.beg_auth_asym_id / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_auth_seq_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_asym_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_auth_seq_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_seq_id
Revision 1.2	Feb 7, 2024	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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PDBx/mmCIF format	8a36.cif.gz	294 KB	Display	PDBx/mmCIF format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/a3/8a36 ftp://data.pdbj.org/pub/pdb/validation_reports/a3/8a36	HTTPS FTP

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Related structure data

Related structure data	5j3wS S: Starting model for refinement
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	#183 - Mar 2015 Phototropin similarity (5) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (2) #207 - Mar 2017 Photoactive Yellow Protein similarity (5) #122 - Feb 2010 Enhanceosome similarity (2)

Deposited unit

A: Sensory box protein

B: Sensory box protein

C: Sensory box protein

D: Sensory box protein

hetero molecules

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

1

A: Sensory box protein

B: Sensory box protein

hetero molecules

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

2

C: Sensory box protein

D: Sensory box protein

hetero molecules

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

Unit cell

Length a, b, c (Å)	98.754, 80.929, 94.370
Angle α, β, γ (deg.)	90.000, 93.846, 90.000
Int Tables number	5
Space group name H-M	C121
Space group name Hall	C2y
Symmetry operation	#1: x,y,z #2: -x,y,-z #3: x+1/2,y+1/2,z #4: -x+1/2,y+1/2,-z

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
d_1	ens_1	(chain "A" and (resid 2 through 133 or resid 500))
d_2	ens_1	(chain "B" and (resid 2 through 133 or resid 500))
d_3	ens_1	chain "C"
d_4	ens_1	(chain "D" and (resid 2 through 133 or resid 500))

NCS domain segments:

Ens-ID: ens_1

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
d_1	1	ILE	ILE	ARG	ARG	A	A	2 - 133	22 - 153
d_1	2	FMN	FMN	FMN	FMN	A	E	500
d_2	1	ILE	ILE	ARG	ARG	B	B	2 - 133	22 - 153
d_2	2	FMN	FMN	FMN	FMN	B	F	500
d_3	1	ILE	ILE	ARG	ARG	C	C	2 - 133	22 - 153
d_3	2	FMN	FMN	FMN	FMN	C	G	500
d_4	1	ILE	ILE	ARG	ARG	D	D	2 - 133	22 - 153
d_4	2	FMN	FMN	FMN	FMN	D	H	500

NCS oper:

ID	Code	Matrix	Vector
1	given	(-0.758957524553, 0.233586010979, -0.607800173905), (0.114548416749, -0.870985857871, -0.477768035357), (-0.640985285435, -0.432228193045, 0.634284362878)	-35.4606200466, 7.78407787689, -11.7550230366
2	given	(0.724365210431, -0.0107442184629, 0.689332723499), (-0.447392899157, -0.768069342845, 0.45815835512), (0.524532778482, -0.640276538967, -0.561169598203)	-37.0643169964, 7.48470649017, -11.1667789795
3	given	(-0.995408598977, -0.0892812044424, -0.0345048926493), (-0.0676931652522, 0.40178035434, 0.913230629274), (-0.0676709425202, 0.911373366629, -0.405979346936)	-70.6145968199, 12.665599841, -25.7432520128

#1: Protein	Sensory box protein Mass: 18617.764 Da / Num. of mol.: 4 / Mutation: K117E Source method: isolated from a genetically manipulated source Details: K117E ENGINEERED MUTATION / Source: (gene. exp.) Pseudomonas putida KT2440 (bacteria) Strain: ATCC 47054 / DSM 6125 / CFBP 8728 / NCIMB 11950 / KT2440 Gene: PP_4629 Production host: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria) References: UniProt: Q88E39
#2: Chemical	ChemComp-FMN / FLAVIN MONONUCLEOTIDE / RIBOFLAVIN MONOPHOSPHATE Mass: 456.344 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₁₇H₂₁N₄O₉P / Feature type: SUBJECT OF INVESTIGATION
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: 2.54 Å³/Da / Density % sol: 51.52 %
Crystal grow	Temperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 4.6 / Details: 0.1 M Sodium acetate, 24% (v/v) MPD

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 0.979183 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Oct 4, 2018
Radiation	Monochromator: Silicon (1 1 1) channel-cut / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979183 Å / Relative weight: 1
Reflection	Resolution: 2.7→49.27 Å / Num. obs: 20405 / % possible obs: 99.6 % / Redundancy: 6.6 % / B_iso Wilson estimate: 91.56 Å² / CC_1/2: 0.998 / R_merge(I) obs: 0.072 / R_pim(I) all: 0.03 / R_rim(I) all: 0.078 / Net I/σ(I): 10.7
Reflection shell	Resolution: 2.7→2.83 Å / Redundancy: 6.9 % / R_merge(I) obs: 1.062 / Mean I/σ(I) obs: 1.5 / Num. unique obs: 2685 / CC_1/2: 0.878 / R_pim(I) all: 0.433 / R_rim(I) all: 1.148 / % possible all: 99.8

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Processing

Software

Name	Version	Classification
MxCuBE		data collection
PHENIX	1.19rc6_4061	refinement
XDS		data reduction
Aimless		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5J3W

5j3w

Resolution: 2.7→42.5 Å / SU ML: 0.4315 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 38.6719
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2718	956	4.72 %
R_work	0.2252	19312	-
obs	0.2273	20268	98.8 %

Solvent computation

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

Displacement parameters

B_iso mean: 132.96 Å²

Refinement step

Cycle: LAST / Resolution: 2.7→42.5 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4307	0	124	0	4431

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0036	4495
X-RAY DIFFRACTION	f_angle_d	0.7169	6073
X-RAY DIFFRACTION	f_chiral_restr	0.0475	643
X-RAY DIFFRACTION	f_plane_restr	0.006	803
X-RAY DIFFRACTION	f_dihedral_angle_d	10.7413	1767

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Refine-ID	Type	Rms dev position (Å)
ens_1	d_2	A	X-RAY DIFFRACTION	Torsion NCS	0.86966153861
ens_1	d_3	A	X-RAY DIFFRACTION	Torsion NCS	0.958506094624
ens_1	d_4	A	X-RAY DIFFRACTION	Torsion NCS	1.02467436112

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 (%)
2.7-2.84	0.4643	156	0.3891	2706	X-RAY DIFFRACTION	98.45
2.84-3.02	0.4377	160	0.3526	2700	X-RAY DIFFRACTION	98.11
3.02-3.25	0.3087	125	0.2877	2742	X-RAY DIFFRACTION	98.52
3.25-3.58	0.2893	119	0.2648	2770	X-RAY DIFFRACTION	99.04
3.58-4.1	0.2944	124	0.2288	2773	X-RAY DIFFRACTION	99.08
4.1-5.16	0.2288	136	0.2049	2780	X-RAY DIFFRACTION	99.25
5.16-42.5	0.2472	136	0.1949	2841	X-RAY DIFFRACTION	99.1

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	2.58131125986	-1.4676329674	3.99158126334	0.835188680297	-2.61669198336	5.95299078521	1.34627378957	-4.27702575209	-4.39003388404	-0.401393676241	0.0290091656044	0.733651134093	1.65645003201	-0.181989679034	-0.635962620642	0.904169175992	0.253846071931	0.152888434755	2.24222377428	0.580519961852	1.40505194523	-23.2984497493	-0.460752730179	0.475428604768
2	8.78390572314	2.64129170268	-0.573262691263	2.55277065006	-0.934733659604	8.13238553058	-0.502139219561	-1.79315098073	-0.624771017706	0.162530203968	-0.727407596378	0.0432383844298	0.375638287352	0.838634136534	1.03520282428	0.866132785364	0.215422791064	0.0781498223351	1.48397373873	0.404345234523	1.22737294068	-38.9899228036	-4.02687212443	3.77761322478
3	0.878067940811	1.91061537695	-2.99280737668	1.4426426811	-3.3501430627	7.62643298505	-0.013635996807	-1.91608456559	-1.17770110017	0.233645790723	-1.19128346712	-0.252596855687	0.0103929992617	3.61180371426	0.985605836953	0.946006785272	0.215888488313	0.146466014449	2.18648469772	0.845068439702	1.63677048563	-34.412672882	-2.31494182188	12.1487554331
4	8.93572509993	5.54311054175	4.97564253693	1.99951682775	6.3200919354	3.78028624887	-1.13427708998	-0.256919468083	-0.0289231587404	-1.10012830247	0.298204006633	2.72576990159	3.2760364873	-0.541430994287	0.73070515247	1.00538713911	0.415176922318	0.260347725218	1.6699615172	0.522521076374	1.01689210784	-41.1327240653	-1.81235190276	3.87167543501
5	3.0419320507	-0.273380241703	-2.67339270886	2.41460016118	1.07604832342	3.10751638149	-1.49573343211	1.19992087927	1.00906840688	1.08595111723	0.546530699683	-0.144662231887	-0.580581289895	-0.697632977017	0.771196605934	1.0629268522	0.0346424696268	-0.0860810887626	1.18235072227	0.386773122145	1.42455752986	-22.9610955955	5.97045974264	-1.68184423614
6	4.00661944593	3.28873904829	0.467416960955	5.57299646513	1.14313747549	7.15295412441	-0.637281821447	-0.956016129816	0.59943325649	0.402851910675	0.125794389981	0.414744506058	-1.1433291589	-0.209376088534	0.222942006284	1.09130603973	0.192815468315	0.0467452866607	0.829389204104	-0.0609870603848	0.874795269168	-12.5991623107	7.72703248332	11.0492526032
7	6.01551304738	1.23424157491	-2.27918024297	8.57002579438	-1.59603552082	7.14855027454	0.382489879453	-0.678932292512	0.672242572442	0.914505880307	-0.357849669353	0.383234522417	-0.891951530519	-0.335532573399	-0.0814582267154	1.05373496845	0.124381805546	0.0537110665922	0.826434636789	-0.159352277552	0.657501205272	-6.84269037883	5.7633580735	19.0376523432
8	4.13151674955	-1.72863331777	-4.19510987178	3.40648025335	0.895643481619	4.33147176577	-0.0615982442671	-1.20927351755	-0.685235005316	0.391996516896	0.66635969239	-0.643479792123	0.707312475152	0.42383644881	-0.547730810883	0.98956197744	0.0653936339469	0.0350740673138	1.04015632473	-0.109561497259	1.00261711845	-10.8413115101	-3.29443048998	19.4692868948
9	1.75828190201	-1.03876369411	0.629013753568	6.16715160644	-4.46420993111	6.33451744555	-0.360856749144	-1.09311400668	0.448562909603	1.55633901516	1.18838872296	0.508237813755	-0.0246721207227	0.449209144007	-0.760121774983	1.00138227265	0.173280865651	0.17477621779	0.816025932902	-0.161510619583	0.869960486303	-14.4121760554	3.31663569326	17.9232423059
10	9.54283676546	0.983452822599	-6.05968141954	2.53197095417	1.02931518882	4.73546136505	0.088904524756	0.356439012887	1.07887079241	0.0333484766061	0.748092448963	-0.0493151377037	0.198824990259	-0.258024830202	-0.757449725195	0.95667185154	0.218573596523	-0.0674972213506	0.78682183916	0.0151590894978	0.829759331994	-10.2515348647	1.06541540481	6.09987736232
11	3.2376253465	4.00986838296	-2.73896419084	8.48368776227	-4.47138302974	2.67020484563	-0.302396750825	-3.03644123948	-0.480161350049	-0.271029471366	1.52014403954	0.461164413891	1.31975129938	-2.55894668563	-1.32561562088	1.71492755366	0.0691431455421	0.253085153137	2.28685002548	0.47924579602	1.26255349253	-28.1488160332	-4.30393530621	33.6804416496
12	4.70291781928	2.48991303117	0.112115587695	1.33281435337	-0.00554815724298	2.23304218248	0.315454213698	-1.5334874181	1.25491746285	-0.916533609771	0.164791620552	-0.364633786526	-1.47085700835	0.215922742009	0.113582393611	1.13245835404	0.281593516073	0.121813561405	0.794344339037	0.0906446291565	1.1078105988	-7.03304452775	2.70762662338	17.7014053297
13	8.99041852346	4.77159009457	-2.64236886492	3.4210785959	0.120242651246	3.85155689622	-0.0920708061633	-2.13037683657	0.700820059618	-0.0500214733265	1.7466325387	1.51076144899	-0.313047424323	-2.92727362584	-1.47182236655	0.877150131154	-0.0958391840571	-0.00552451320563	1.96940734649	0.186239607778	1.20569390902	-48.0516964985	15.1404604057	-18.4672235857
14	2.10933724655	-2.41498627182	2.62493738492	9.44786252272	-2.30626113975	6.26732820873	-0.183703246272	1.0468072957	-0.513327484282	-0.421414894776	0.72481040425	1.38315954261	0.173707821773	-0.608413693684	-0.823835422581	1.02213378309	0.00311442876657	-0.175930847562	0.995512007295	0.0327207433302	1.1610070444	-58.6674230286	22.8713394039	-27.1968148463
15	6.39748067989	-3.63418655993	3.16187830201	4.01114607041	-3.6570386118	3.66175212531	-0.867505761837	-1.37151661913	-0.512942423111	-0.19616341614	1.46950425998	2.23517751336	0.235147231298	-3.05993983756	0.182329008189	1.29247254542	0.077800913819	-0.208540715272	1.34739389006	0.0928368166287	1.38087647197	-66.617373942	23.8323248166	-26.8218422952
16	3.11867875875	0.353274992442	2.56387787228	4.58504908627	2.60818903087	3.64894713269	-0.0621857801576	0.828599626189	1.22077757517	0.0736819365179	-0.354965975495	1.38966275162	-0.0787628555058	-1.31667859133	0.377696698077	0.786357775835	0.157359911324	0.00949755775035	1.62040459097	-0.0496515486697	1.40099057971	-61.9862448226	32.5309068364	-25.728529005
17	7.6189459664	4.07536994823	2.60512585131	9.16897362183	-0.327712200421	7.79018817218	-0.539637535585	1.81630036952	0.147272706468	-2.24862423699	0.662197671048	2.22921889098	-0.711645336129	-0.392459240433	-0.36418763253	0.907845709059	0.127673883879	-0.110430312757	1.73389856788	0.0112952548126	1.29096009524	-61.0295778738	30.2998116778	-37.7751872708
18	8.36201571501	4.13175290506	-4.22741768726	2.29156807975	-1.74098121777	8.00043229783	-0.219839469334	0.702398310211	-0.193153096052	0.582030877817	0.618487421496	-0.556295528391	-0.654012480174	-1.07896240879	-0.465810355167	1.10890992824	0.012112402745	-0.116591458164	0.963264955323	-0.0637720784785	0.770273120087	-56.4819697965	26.7918979777	-34.748369034
19	0.926467916203	0.311281309589	-0.242271520632	0.674976415485	1.33749685507	3.62725217377	-2.12245067527	0.629930494431	-1.27302475435	-1.59499215888	0.187592601932	-1.66490480672	2.11063963541	-0.286398482737	-0.689217926274	2.12668695162	-1.97805058759	-0.126754138808	1.7022592917	2.29579894419	3.12665389055	-66.9365692377	8.0520339387	-27.2861362468
20	3.38367884364	0.00577736163906	1.51211788634	3.93244519434	1.80186737787	7.23012362021	-0.512723019387	2.3320727275	0.343802337385	-0.850146280003	1.41372376013	-0.0852145369279	-0.604687516186	0.719210598767	-0.895955558126	1.35859155022	-0.0714699203994	-0.15140258614	1.58757494738	0.0429176037558	0.801600764177	-48.8288321101	34.9279433232	-37.835481007
21	3.07637701578	-2.02106083603	-0.391428996948	3.68420836894	-3.78110566231	7.67547351554	1.0134946619	0.58606026353	1.1821748055	-1.27755666667	-1.00033157876	1.35486558059	-0.0453914322742	-1.53541237782	-0.544289155756	1.09803946566	0.0749261054596	-0.0280051331349	1.62502401794	0.391118062993	1.47569190997	-64.10017556	28.7212938729	-34.0269679951
22	8.95679403461	-4.37114792166	1.78573920016	7.76252568481	-2.45310545999	8.70923142218	0.62031144084	1.29298563064	-0.938689696121	-0.253848777104	-0.324187557647	0.802382758082	1.26967559784	-0.170362334748	-0.595166113715	1.07098806878	-0.104758735576	-0.0364684564112	1.0394356365	-0.141120464617	1.09641567877	-47.38134715	14.1635124917	-24.926449668
23	4.7978954778	5.25073533776	-2.51685662811	8.33651532528	0.0850300246986	5.05517420451	-0.59379684118	-1.6905480618	-1.46881376504	-0.245804650166	-0.149966973078	-0.246652984222	0.212898763974	-0.0314423044418	0.84249730197	1.17575634025	0.10456851292	-0.0842003090103	1.1955605641	-0.197355472279	1.43732349468	-33.5867724666	10.6988007467	-23.6912775347
24	4.82210958288	-0.0416530873441	-2.39297783971	2.4025316958	2.17922290549	4.46138698346	-0.0880634664824	0.921395771757	0.926931182037	-0.601021419695	-0.199195741941	0.105137642621	0.959917303183	-0.856400676996	0.345769674521	1.48851888864	0.0584894539892	-0.112430094228	1.01659985462	-0.193438765659	1.07087919194	-39.2039711989	11.7977205464	-35.7246984642
25	4.56206834211	4.79382508761	-4.63709594149	5.19068420802	-5.24503413548	5.80722407403	0.196856074608	-1.0643545421	-0.116971060864	-1.25439398969	-1.28398919411	-0.597696649327	0.108681266898	1.78838624071	1.33036659936	1.36993445168	-0.0779908554416	0.093736760311	1.44849947513	0.0544561627692	1.25147051643	-26.9322290144	16.4757552525	-30.7162964733
26	9.32392253871	-1.32122024323	2.5419244875	9.0159781385	-2.25661185318	3.94180054394	-0.260261699346	0.464952979516	0.527686984127	-0.14244840169	0.115674158262	-0.424935472374	-0.643281710331	1.01902698014	0.21847484094	0.650007114434	-0.0772355043104	0.0445960806647	0.807265876431	-0.0747908665469	0.841844507469	-32.0904278127	22.9368718884	-26.3196015456
27	3.30530781475	0.396082657501	-0.780102782889	3.66822963926	-2.08348637246	3.98211356633	0.0412478373091	0.0691507031681	-0.251216459533	-0.526809154731	0.157861376191	0.19889654331	0.270773447085	1.34368387414	-0.125924227484	0.920320050117	-0.0411215361395	0.04710177139	1.32995572318	-0.0919184061459	0.97726830253	-39.5738224654	15.7151547713	-19.5255344581
28	3.74992828794	-0.900220821539	-0.500190942926	4.43379336785	-3.08256002328	3.31508409289	-0.784052642863	0.161330418592	0.787284313349	0.138836821925	0.702397354747	-0.970138879946	-0.0883734709995	-0.776823584677	-0.263219695	1.4389413328	-0.0552919851817	-0.273205616988	1.36253867348	0.207922192087	1.05590627703	-34.2765464845	38.912179541	-41.9138121525
29	3.11126954405	2.21469532469	-0.16239097616	3.62403662782	-2.49498415003	2.89421205911	-0.244511593978	1.13456778402	2.35585274859	1.23771930929	0.795036077832	1.08309224909	0.36868307737	1.53193734639	-0.49538247597	0.990714662002	-0.0882774961931	0.020769219568	1.10825962852	0.104859967925	1.43304578784	-29.7632589474	18.3297666066	-25.9569367864

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 2 through 24 )	A	A	2 - 24	1 - 23
2	2	chain 'A' and (resid 25 through 86 )	A	A	25 - 86	24 - 85
3	3	chain 'A' and (resid 87 through 134 )	A	A	87 - 134	86 - 133
4	4	chain 'A' and (resid 500 through 500 )	A	B	500
5	5	chain 'B' and (resid 2 through 12 )	B	C	2 - 12	1 - 11
6	6	chain 'B' and (resid 13 through 41 )	B	C	13 - 41	12 - 40
7	7	chain 'B' and (resid 42 through 74 )	B	C	42 - 74	41 - 73
8	8	chain 'B' and (resid 75 through 86 )	B	C	75 - 86	74 - 85
9	9	chain 'B' and (resid 87 through 104 )	B	C	87 - 104	86 - 103
10	10	chain 'B' and (resid 105 through 119 )	B	C	105 - 119	104 - 118
11	11	chain 'B' and (resid 120 through 134 )	B	C	120 - 134	119 - 133
12	12	chain 'B' and (resid 500 through 500 )	B	D	500
13	13	chain 'C' and (resid 2 through 12 )	C	E	2 - 12	1 - 11
14	14	chain 'C' and (resid 13 through 24 )	C	E	13 - 24	12 - 23
15	15	chain 'C' and (resid 25 through 33 )	C	E	25 - 33	24 - 32
16	16	chain 'C' and (resid 34 through 63 )	C	E	34 - 63	33 - 62
17	17	chain 'C' and (resid 64 through 91 )	C	E	64 - 91	63 - 90
18	18	chain 'C' and (resid 92 through 103 )	C	E	92 - 103	91 - 102
19	19	chain 'C' and (resid 104 through 109 )	C	E	104 - 109	103 - 108
20	20	chain 'C' and (resid 110 through 133 )	C	E	110 - 133	109 - 132
21	21	chain 'C' and (resid 500 through 500 )	C	F	500
22	22	chain 'D' and (resid 2 through 24 )	D	G	2 - 24	1 - 23
23	23	chain 'D' and (resid 25 through 33 )	D	G	25 - 33	24 - 32
24	24	chain 'D' and (resid 34 through 48 )	D	G	34 - 48	33 - 47
25	25	chain 'D' and (resid 49 through 64 )	D	G	49 - 64	48 - 63
26	26	chain 'D' and (resid 65 through 104 )	D	G	65 - 104	64 - 103
27	27	chain 'D' and (resid 105 through 119 )	D	G	105 - 119	104 - 118
28	28	chain 'D' and (resid 120 through 134 )	D	G	120 - 134	119 - 133
29	29	chain 'D' and (resid 500 through 500 )	D	H	500

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