PDB-9efe: Crystal Structure in space group P21 of a nucleoid-associated pro...

ID or keywords:

Entry

Database: PDB / ID: 9efe

Title

Crystal Structure in space group P21 of a nucleoid-associated protein (UBP) from Sulfolobus islandicus.

Components

Plasmid pARN4

Keywords

DNA BINDING PROTEIN / Sulfolobus islandicus / Archaea / DNA sequence specific binding protein / nucleoid-associated protein / DNA replication origin binding protein

Function / homology

DI(HYDROXYETHYL)ETHER / Plasmid pARN4

Function and homology information

Biological species

Sulfolobus islandicus REY15A (archaea)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.59 Å

Authors

Dhanaraju, R. / Gonzalez-Gutierrez, G. / Bell, S.D.

Funding support

United States,

United Kingdom, 3items

Organization	Grant number	Country
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	R01GM135178	United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	R35GM152171	United States
Wellcome Trust	086045/Z/08/Z	United Kingdom

Citation

Journal: Nat Commun / Year: 2025
Title: An archaeal nucleoid-associated protein binds an essential motif in DNA replication origins.
Authors: Dhanaraju, R. / Samson, R.Y. / Feng, X. / Costa, A. / Gonzalez-Gutierrez, G. / Bell, S.D.

History

Deposition	Nov 20, 2024	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 11, 2025	Provider: repository / Type: Initial release
Revision 1.1	Jun 18, 2025	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.identifier_ORCID

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	9efe.cif.gz	454.7 KB	Display	PDBx/mmCIF format
PDB format	pdb9efe.ent.gz	314.5 KB	Display	PDB format
PDBx/mmJSON format	9efe.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	9efe_validation.pdf.gz	491.3 KB	Display	wwPDB validaton report
Full document	9efe_full_validation.pdf.gz	501.1 KB	Display
Data in XML	9efe_validation.xml.gz	39.8 KB	Display
Data in CIF	9efe_validation.cif.gz	51.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ef/9efe ftp://data.pdbj.org/pub/pdb/validation_reports/ef/9efe	HTTPS FTP

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Related structure data

Related structure data	9efdC 9effC 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

Deposited unit

A: Plasmid pARN4

C: Plasmid pARN4

D: Plasmid pARN4

B: Plasmid pARN4

E: Plasmid pARN4

F: Plasmid pARN4

G: Plasmid pARN4

H: Plasmid pARN4

hetero molecules

111 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Plasmid pARN4

C: Plasmid pARN4

hetero molecules

defined by author&software
Evidence: gel filtration, Gel Filtration shows a peak corresponding to the dimer MW. Single point mutations on the dimer interaction surface disrupts dimer formation.
27.5 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

D: Plasmid pARN4

B: Plasmid pARN4

hetero molecules

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

3

E: Plasmid pARN4

F: Plasmid pARN4

hetero molecules

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

4

G: Plasmid pARN4

H: Plasmid pARN4

hetero molecules

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

Unit cell

Length a, b, c (Å)	86.896, 165.538, 47.638
Angle α, β, γ (deg.)	90.000, 90.000, 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	Plasmid pARN4 Mass: 13679.189 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Sulfolobus islandicus REY15A (archaea) / Gene: SiRe_1573 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: F0NFD3
#2: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER Mass: 106.120 Da / Num. of mol.: 5 / Source method: isolated from a natural source / Formula: C₄H₁₀O₃
#3: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C₂H₆O₂
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 311 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N
Has protein modification	N

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.13 Å³/Da / Density % sol: 60.71 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop Details: NaAc 0.1 M pH 4.8 - 5.2, LiCl 0.2 M or MgCl2 0.2 M, and PEG6000 18 - 24%

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: ALS / Beamline: 4.2.2 / Wavelength: 1.24984 Å
Detector	Type: RDI CMOS_8M / Detector: CMOS / Date: Sep 24, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.24984 Å / Relative weight: 1
Reflection	Resolution: 2.59→47.64 Å / Num. obs: 41929 / % possible obs: 99.9 % / Redundancy: 3.7 % / CC_1/2: 0.999 / R_pim(I) all: 0.045 / R_rim(I) all: 0.086 / R_sym value: 0.073 / Net I/σ(I): 13.2
Reflection shell	Resolution: 2.59→2.6 Å / Redundancy: 3.6 % / Mean I/σ(I) obs: 1 / Num. unique obs: 417 / CC_1/2: 0.447 / R_pim(I) all: 0.636 / R_rim(I) all: 1.216 / R_sym value: 1.033 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	1.20.1_4487	refinement
XDS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.59→47.64 Å / Cross valid method: FREE R-VALUE / σ(F): 24.02 / Phase error: 27.4677
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2553	2140	5.11 %
R_work	0.2216	39752	-
obs	0.2257	41892	99.84 %

Solvent computation

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

Displacement parameters

B_iso mean: 69.54 Å²

Refinement step

Cycle: LAST / Resolution: 2.59→47.64 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7145	0	75	311	7531

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0039	7386
X-RAY DIFFRACTION	f_angle_d	0.6961	9923
X-RAY DIFFRACTION	f_chiral_restr	0.0511	1049
X-RAY DIFFRACTION	f_plane_restr	0.0054	1191
X-RAY DIFFRACTION	f_dihedral_angle_d	5.237	961

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 (%)
2.59-2.65	0.2856	135	0.2807	2697	X-RAY DIFFRACTION	94.7
2.65-2.71	0.3393	145	0.2635	2589	X-RAY DIFFRACTION	94.63
2.71-2.79	0.3043	149	0.2728	2665	X-RAY DIFFRACTION	94.6
2.79-2.87	0.3135	138	0.2699	2616	X-RAY DIFFRACTION	94.85
2.87-2.96	0.2835	128	0.2557	2680	X-RAY DIFFRACTION	95.37
2.96-3.07	0.2766	146	0.2579	2614	X-RAY DIFFRACTION	94.57
3.07-3.19	0.2558	113	0.2443	2716	X-RAY DIFFRACTION	96.01
3.19-3.34	0.256	176	0.2427	2577	X-RAY DIFFRACTION	93.57
3.34-3.51	0.2727	145	0.2271	2651	X-RAY DIFFRACTION	94.75
3.51-3.73	0.2233	159	0.2305	2619	X-RAY DIFFRACTION	94.24
3.73-4.02	0.2493	132	0.213	2665	X-RAY DIFFRACTION	94.94
4.02-4.42	0.273	164	0.1894	2623	X-RAY DIFFRACTION	94.08
4.42-5.06	0.2168	127	0.182	2669	X-RAY DIFFRACTION	95.25
5.06-6.38	0.2684	137	0.2174	2679	X-RAY DIFFRACTION	95.13
6.38-47.64	0.236	146	0.2285	2692	X-RAY DIFFRACTION	94.39

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	3.18819119883	-0.610266304936	0.0491602592341	3.5982347439	0.347593632114	5.46103277004	0.171894233438	-0.0694062057666	-0.0844028484821	0.0209578041735	-0.0317764125627	0.237510841158	0.331576672381	-0.642606124943	-0.128729304384	1.24606251146	-0.338861616836	0.0800460515221	0.61287991884	0.0546321918599	0.465843933639	15.82362488	-27.8592915808	19.8395400297
2	1.74450422534	-1.35579931864	-0.59306977276	2.75471387646	0.633319992203	1.4481824509	-0.0412851901549	-0.143038245777	-0.0755941428507	0.0811066178523	-0.132748537173	0.0944590855336	0.323426534101	-0.0265698854497	0.133888377774	1.03001252718	0.0869270476002	-0.043971141766	0.746528382937	-0.0909899260376	0.135440038705	31.6546289822	-39.1976599384	19.3595883664
3	1.64028466268	-0.714541116539	-0.199164104036	2.42088252483	0.700245739045	2.54236629304	0.0200925666047	-0.00796330184673	0.294904117829	-0.166163841858	0.0270986454985	-0.0793139517738	-0.133381934125	0.304658204822	-0.0146728885405	1.13134821613	0.199294037933	0.0631937995058	0.543118925915	-0.049485233103	0.0756532009241	33.3188118786	-35.0189911193	7.83843399846
4	8.41365006456	0.692439821288	-3.60386550319	1.39795634368	0.724683029989	2.32129240142	-0.0342253894777	0.0418186822087	0.496971161522	-0.0877395168428	-0.0320605643355	-0.0115298662338	-0.403529934099	0.298295896263	0.0669833107672	1.42802256644	0.190864042418	-0.291035927077	1.38523992297	0.0997276785321	1.54135420374	51.7769991231	-35.2361352052	1.84844884866
5	1.65713353856	-0.901058054175	-0.130993310202	3.48056974336	-1.59657726577	4.82149872455	-0.0433426310262	0.0596098874151	0.0633069695785	0.272526834332	-0.0243222343426	-0.228693933902	-0.284593397151	0.123727008397	0.0380914077252	0.919493791156	-0.0463349592207	-0.117877873043	0.553332628583	0.119018682286	0.267805765569	35.8262754677	-40.7435914603	1.73740317049
6	8.26396887159	1.00567706529	3.7491122502	2.99422761824	-1.35345924387	2.8415407164	0.0431609318744	1.0162260989	-0.623063464591	-0.722405079138	-0.0556634555025	-0.140409413957	0.630321142315	0.211301909371	0.0304900863274	1.37050851731	0.0870752839828	0.140424742221	0.718617017757	-0.0404469175796	0.533788700814	33.6076475751	-53.2100636794	2.98725800217
7	0.39314931057	-0.437871848587	-0.261907054884	3.22544892069	0.74580030032	0.36763606536	0.208658986745	0.0764255613749	-0.0289100866018	-0.450830817381	-0.150920101841	0.297396842233	0.174658141402	-0.138299737275	-0.0533688828639	1.05000837884	-0.0300371858697	-0.000349947609197	0.50479993049	0.0744537363265	0.336398907321	24.7899398154	-25.2209079062	16.4952339825
8	5.17477368176	-2.92989198604	0.0741654844956	3.71571794361	0.145368309218	2.43318002705	-0.0203317016227	0.479584144118	0.594236989203	-0.661618462038	-0.0560089953413	-0.505846992481	-0.496098469225	0.233997378265	0.0631966257412	0.815169614085	-0.0664993599663	0.132281217232	0.730872670713	-0.136764768855	0.375563799004	27.5828098181	4.30718318553	22.7295837599
9	1.82539231536	0.353756870802	0.635117490371	1.37454332672	0.490191892769	1.06971771094	-0.00286980659533	0.341616747718	0.15916813827	-0.108290433155	0.0541622804348	-0.105744931372	-0.512448191044	0.503873271063	-0.0629946421797	0.773352321988	-0.113824854061	-0.011112138291	0.641944543598	0.00277905757425	0.285894530758	34.4159989589	-1.21466586358	20.386821642
10	2.22865894381	-1.23633216906	-1.42178558005	1.33916783108	0.658709140426	1.79237252381	-0.00673549483392	0.228196576592	-0.0719390144921	-0.268181447191	0.344984697721	-0.276592752583	-0.317016385993	0.0786986810167	-0.297591046691	0.417566060597	-0.215699524599	0.112784943741	1.24694952863	-0.230341390028	0.50902168755	52.6104538051	1.08828836981	21.4842491546
11	3.28518411635	1.70648438201	-0.148751425519	5.22981781172	-1.03242233619	0.923706964593	0.0298298849138	0.0144210969755	-0.385848207076	0.143862865633	0.055279936365	-0.0664216672049	0.491084362933	0.106864034158	-0.0681792052418	0.706350447504	0.0275209775556	-0.0578078795345	0.588960955007	-0.0474248308339	0.269380576494	36.8535276113	-12.2525326051	28.9485720874
12	6.36484088111	-2.71068578546	-4.38373561125	4.87380216089	0.824448660173	3.40146149188	0.11121306855	-0.057501163341	0.0675558885738	0.0225027591735	0.145012687645	-0.349284996661	0.138969387788	0.356314217595	-0.232426426857	0.500372088244	-0.0567883991997	0.0501888996073	0.73141549741	-0.130205836834	0.261401409092	48.3724525311	-2.00908934059	27.5626019514
13	4.48017037805	-0.688484147055	-1.40247212937	1.2507936518	0.137182751484	2.71686941527	-0.422031371961	-0.30158355253	-0.153291317278	-0.138930364934	-0.0520916210787	-0.161974176601	0.3655617933	0.083045159066	0.444742089829	0.544498174917	-0.0590999848952	0.0188773660025	0.827151836458	0.0724103546855	0.344333680019	55.5823388734	-5.54366843656	27.5758241969
14	4.01143449555	1.59219835677	1.57797831784	5.66014070587	-0.51724372678	2.94725574262	-0.267052714776	-0.474142373697	0.867694370184	0.52515660081	-0.0503713234986	-0.717092616665	-0.329347993843	0.582664779412	0.270411590622	0.752999641479	-0.330461717698	-0.0876486865107	1.09167258576	-0.0836846838552	0.628291050355	48.1862312786	8.15338818253	26.8667741526
15	2.63905625746	2.52065177926	0.972944932188	6.07119739884	2.67679182781	1.91764094475	0.24025937561	-0.142497929647	-0.172988343923	0.353713928299	-0.262735233502	0.120233708864	0.744757970354	-0.4446094523	0.012983664923	0.628744413018	-0.131723104472	0.0385260724681	0.533401138679	0.0900728255042	0.37327031582	24.0226988664	-23.7669555101	23.1662688395
16	3.41823697603	0.17569910513	0.562964739596	1.61168342718	0.187801745263	2.76368465498	-0.0342967084964	0.335910273924	-0.370546318238	0.0156852940218	0.050716527482	-0.274751839436	0.155567150895	0.622607398676	-0.0203020632562	0.500651207739	0.0258321428722	0.0109741098496	0.397731649848	-0.0248454073006	0.273315964729	39.1068535039	-5.03368897027	-0.28086782498
17	4.1783549037	0.722086724913	-0.646700380547	0.694497365896	-0.519028520275	0.390889806195	0.0282908973207	0.402885910307	-0.462546995444	-0.436397682579	0.069342509622	-0.018386069202	0.424318480729	0.0350835832656	-0.0959613078378	1.02704869589	0.102483032264	-0.103191765124	0.866017732671	0.15098257787	0.904231407987	62.4356320111	-8.73913155324	-1.19646972491
18	3.10770857231	-1.61412840368	-1.89412905943	8.43745831898	-4.79251447459	5.54608854471	-0.0607432776992	0.745152423084	-0.0939317727898	-1.01075740117	-0.224066939473	0.685993802384	0.413867845178	-0.402823980019	0.302405334736	0.680203717795	0.142548306914	-0.284624317462	1.27347229769	0.0822794798588	0.880662262579	49.9468321673	-10.099257645	-5.99716280535
19	0.0279731038142	0.0775293791937	-0.0110942948457	0.213153922079	-0.0295441107317	0.00407043613927	-0.228845375685	0.698056383362	-0.266467282034	-1.05323292721	0.059814963867	-0.507434280962	0.385103083904	0.0618050324595	0.16530318743	2.06795154536	-0.0773398282457	0.323259638957	2.09711780439	0.00136516684399	1.82378062828	49.3334564729	-22.5557712778	-6.18855709277
20	2.00035952097	3.16723081641	1.40168620923	2.00052256544	4.16132117308	9.44187335434	-0.446499877605	0.150599769628	-2.16086170855	-0.107045862349	0.539453853782	0.224806627089	0.387043318957	0.934111209513	-0.072557135011	1.06558117126	0.0892247874133	-0.139316690208	0.499172176889	0.204111788337	1.05459438815	39.4520211115	-19.661866854	-1.89366854962
21	0.814851036956	0.0726337245387	0.0523587552151	0.0959194499178	-0.365252025117	1.52485196245	0.0794047049362	-0.246453494658	-0.00408690538698	0.361861684319	0.0599965842283	-0.0736206960176	-0.10436429662	0.0383064132793	-0.12181459682	0.875794249177	-0.113743878299	-0.1979033365	0.600734841936	0.0710321568467	0.342205871724	33.0885297313	14.7708281259	-0.357067536108
22	1.29330835822	0.601755157869	0.799260243675	0.691053299163	0.341811183249	0.913502015106	0.0837463968468	-0.0365890526243	-0.0451221701289	0.0396624576265	-0.0372877215434	0.10663276461	-0.0779779752989	0.361062693693	-0.0566532776435	1.50030187663	-0.195938168773	-0.0419976032793	0.909663072367	-0.0289929669346	0.0678437170708	43.7677613511	33.1398207054	7.92422909512
23	0.710219496249	0.339661485293	-0.131060492245	0.52093005176	0.0854339163878	1.0090026303	-0.0455061900158	-0.0359468331149	-0.298844051679	-0.122436363311	0.0385238243456	-0.206772007235	0.358648939894	0.247935506222	0.0084571479721	1.2033959093	-0.113203993643	0.0116837313993	0.767475928566	-0.0419514967825	0.2079930529	46.8241580523	30.0186168586	19.3325493439
24	0.658535149284	-0.243728988096	0.124006258653	0.663480425021	0.608220007346	0.786456640922	0.16763824019	-0.205599330241	0.123066230254	0.674590684779	-0.453294708491	0.308291590782	-0.475005073007	-0.0583606331785	0.297558449957	0.990362353541	-0.177657891914	-0.0311717025104	0.581578704455	-0.00903650503345	0.305157119636	33.5689108029	19.1864763176	7.43865669757
25	1.11000267913	-1.0487333714	0.597393840642	0.957211878173	-0.549123581269	0.3217090514	-0.0999580597584	-0.0908949077486	-0.0118788792326	0.0250572784459	0.111854967569	-0.118526496882	-0.0220630269248	-0.0229828503618	0.0209985432368	1.35996852125	0.461030658962	0.236474537354	1.04828726875	0.0410471821627	0.348346243001	15.6035241743	36.1052659371	43.2794393225
26	1.54936300733	-0.387028219514	0.408069090515	1.6317392549	-0.278971159123	3.23377606233	0.292955770952	0.177567294566	-0.294228005197	-0.227883325416	-0.00877705172302	0.0974425066784	0.345090679694	0.123607557657	-0.223361262763	1.15204324158	0.182275847098	-0.0334050891406	1.21912180341	0.0136439527027	0.221836498604	10.0918012759	34.5626613086	31.6013194273
27	0.958559908962	-0.054901819106	0.292998553199	0.802427153206	0.0706061898354	0.447355894136	-0.104805328007	0.208281237114	0.165757481045	-0.290732039581	0.169662028855	-0.0400318210482	-0.17222120547	-0.0153525399866	-0.0855410506159	1.09851326471	0.239203226564	0.0735731103774	0.904065759669	-0.00320768890413	0.340907518452	8.90758316297	40.4721566727	28.6853659178
28	3.48404669231	-0.432551255005	0.353916432409	8.09677817728	-0.1460156808	3.02730195364	-0.351692722817	0.181968262708	-0.00304045105931	-0.376457149402	-0.317878307989	0.219598448637	0.330246772639	-0.23944249169	0.640676928483	0.659787882256	-0.155265026702	-0.0257911076114	0.625065302227	0.0327345667289	0.42494203951	16.6069714734	4.25631701039	46.0177889682
29	1.10214141561	-0.0770694074095	0.388249866676	1.01357610831	-0.536952233152	0.603704427559	-0.113533593729	-0.210886426082	0.0500401682379	-0.0918786846031	-0.0619509150072	0.159502801679	-0.185240157705	-0.328540764461	0.147084313033	0.651232962385	0.0969634916557	0.0232174528362	0.761957908648	-0.0301642265381	0.364058639268	5.17645612486	3.47807222587	46.7585637669
30	2.64417985962	-1.64391037092	-1.29978650685	1.1439429966	0.539370227453	5.90659951188	-0.414806999261	-0.699172890126	-0.100590893759	0.932899491633	0.068271823443	1.17065698576	0.794012710014	-0.709990884262	0.355396000312	1.28221284518	-0.350423349722	0.319447730008	1.30183951862	-0.0910813783215	0.847449936134	-7.68479912121	-2.33111238669	52.4402814452
31	1.19847715044	0.671383781122	-0.255529961549	1.66830585097	-0.485762458926	0.848017482265	0.0267969711388	-0.317357268222	0.0890486457313	0.545798823755	-0.211160557903	-0.104996163112	-0.080163176034	0.167472069534	0.2101412064	1.20974899621	0.211147503901	-0.088273273731	1.10204610402	0.0399795314563	0.380674937983	17.0519442116	18.7835387017	47.3845649166
32	2.2023255203	-0.837202739473	-0.105411631313	1.25885957831	-0.44355768243	0.254890756035	-0.219621435365	-0.0740194967673	-0.068360487087	0.33638992156	-0.0793969891683	0.0608876355531	0.121621857967	-0.239565037299	0.287801294857	0.736347876145	-0.101253321244	0.0805401812699	1.3384200014	-0.00825051829428	0.380475810876	3.97313773309	4.50121789943	23.6882358254
33	4.39740652129	0.360695221214	-0.108237071225	0.0296799716632	-0.00893254071068	0.00242985013332	-0.0839073227065	0.430434902225	0.182014681363	-0.341798473626	0.0732981960479	-0.0330910293423	-0.178122456199	-0.0150071356783	0.00686208048557	0.858553101387	0.135993550419	-0.135748062425	1.27393228895	0.0350416135175	1.26250762266	-18.8587175918	8.26318604545	22.7681617327
34	0.754892262473	-0.788607186832	-0.181022414257	2.75262222885	-0.632903388427	1.12482429432	-0.0608062850384	0.0914788597759	-0.00786095243712	-0.0940603061355	0.00721603837387	-0.00186546076054	0.0260515332991	-0.163082226814	0.0822157516336	0.630238251935	-0.183588421566	-0.110252135202	0.739819201475	-0.0132744266869	0.315166015438	3.7192947131	-1.00895902461	21.3932149582
35	1.94486262772	0.681159532957	-1.69460533374	2.15649629951	-0.757530428103	2.82544246706	0.0165887597241	0.147624897663	0.0152141186163	-0.14720194307	0.042334908785	0.0562701834288	0.0391732788686	-0.0411565423757	-0.0794780841812	0.834292080396	-0.385331269046	0.0434289695065	0.896062451818	-0.0598122297873	0.286854896075	5.91595649473	-28.9739621938	26.1870009861
36	1.51838772951	-0.345138699693	-0.521244850437	0.409623198589	-0.942668206154	3.57926165445	0.113425402164	-0.0833731918297	-0.0697467400438	0.0181230873496	-0.0321441154071	0.033864502442	0.0716649204017	-0.0544183179745	-0.0303223030033	1.06761396643	-0.527348608782	0.0557949061686	1.11627188359	0.0110005546258	0.164889308732	-6.1146672274	-37.9430170207	36.9452915344
37	0.819066668544	-0.326257352218	0.20666023514	1.53863405267	0.56351306267	2.16317201255	0.0142224672643	0.089407664681	0.162588959063	0.185014707464	0.193200573022	0.0066802784606	-0.29354952784	-0.0928275531217	-0.136166588926	1.40350301001	-0.270009795568	0.0329973714155	1.53255319859	-0.20396660135	0.28245373936	-2.58006562513	-35.0814460132	43.3706373185
38	0.33661325144	-0.0564376622875	0.0766101586369	0.0120183651537	-0.0203319350821	0.0144013191396	-0.0492456981287	-0.11541093419	0.0404497722478	0.198902088546	-0.126011676402	-0.0597644174924	0.270360255623	-0.361735157378	0.145688342566	0.87460039528	-0.0280526882967	0.0216937764395	0.738522118374	-0.0880918490203	0.338485872023	12.7458506904	-13.0691474259	28.8167408902

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 3 through 9 )	A	A	3 - 9	1 - 7
2	2	chain 'A' and (resid 10 through 30 )	A	A	10 - 30	8 - 28
3	3	chain 'A' and (resid 31 through 62 )	A	A	31 - 62	29 - 60
4	4	chain 'A' and (resid 63 through 68 )	A	A	63 - 68	61 - 66
5	5	chain 'A' and (resid 69 through 79 )	A	A	69 - 79	67 - 77
6	6	chain 'A' and (resid 80 through 84 )	A	A	80 - 84	78 - 82
7	7	chain 'A' and (resid 85 through 103 )	A	A	85 - 103	83 - 101
8	8	chain 'A' and (resid 104 through 111 )	A	A	104 - 111	102 - 109
9	9	chain 'C' and (resid 1 through 30 )	C	C	1 - 30	1 - 30
10	10	chain 'C' and (resid 31 through 40 )	C	C	31 - 40	31 - 40
11	11	chain 'C' and (resid 41 through 54 )	C	C	41 - 54	41 - 54
12	12	chain 'C' and (resid 55 through 60 )	C	C	55 - 60	55 - 60
13	13	chain 'C' and (resid 61 through 79 )	C	C	61 - 79	61 - 76
14	14	chain 'C' and (resid 80 through 89 )	C	C	80 - 89	77 - 86
15	15	chain 'C' and (resid 90 through 110 )	C	C	90 - 110	87 - 107
16	16	chain 'D' and (resid 0 through 61 )	D	E	0 - 61	1 - 62
17	17	chain 'D' and (resid 62 through 69 )	D	E	62 - 69	63 - 67
18	18	chain 'D' and (resid 70 through 77 )	D	E	70 - 77	68 - 75
19	19	chain 'D' and (resid 78 through 82 )	D	E	78 - 82	76 - 80
20	20	chain 'D' and (resid 83 through 87 )	D	E	83 - 87	81 - 85
21	21	chain 'D' and (resid 88 through 107 )	D	E	88 - 107	86 - 105
22	22	chain 'B' and (resid 4 through 44 )	B	I	4 - 44	1 - 41
23	23	chain 'B' and (resid 45 through 79 )	B	I	45 - 79	42 - 73
24	24	chain 'B' and (resid 80 through 110 )	B	I	80 - 110	74 - 104
25	25	chain 'E' and (resid 3 through 30 )	E	L	3 - 30	1 - 28
26	26	chain 'E' and (resid 31 through 62 )	E	L	31 - 62	29 - 60
27	27	chain 'E' and (resid 63 through 94 )	E	L	63 - 94	61 - 92
28	28	chain 'E' and (resid 95 through 111 )	E	L	95 - 111	93 - 109
29	29	chain 'F' and (resid 1 through 54 )	F	N	1 - 54	2 - 55
30	30	chain 'F' and (resid 55 through 85 )	F	N	55 - 85	56 - 76
31	31	chain 'F' and (resid 86 through 110 )	F	N	86 - 110	77 - 101
32	32	chain 'G' and (resid 1 through 61 )	G	O	1 - 61	1 - 61
33	33	chain 'G' and (resid 62 through 69 )	G	O	62 - 69	62 - 66
34	34	chain 'G' and (resid 70 through 107 )	G	O	70 - 107	67 - 104
35	35	chain 'H' and (resid 4 through 23 )	H	S	4 - 23	1 - 20
36	36	chain 'H' and (resid 24 through 44 )	H	S	24 - 44	21 - 41
37	37	chain 'H' and (resid 45 through 84 )	H	S	45 - 84	42 - 71
38	38	chain 'H' and (resid 85 through 111 )	H	S	85 - 111	72 - 98

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