PDB-7vn8: Crystal structure of MBP-fused BIL1/BZR1 (21-90) in complex with ...

ID or keywords:

Entry

Database: PDB / ID: 7vn8

Title

Crystal structure of MBP-fused BIL1/BZR1 (21-90) in complex with double-stranded DNA contaning GTCACGTGAC

Components

DNA (5'-D(*TP*TP*GP*TP*CP*AP*CP*GP*TP*GP*AP*CP*AP*AP*A)-3')
Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1

Keywords

TRANSCRIPTION / Transcription factor-DNA complex

Function / homology

Function and homology information

plant ovule development / seed development / brassinosteroid mediated signaling pathway / cell envelope / carbohydrate transmembrane transporter activity / maltose binding / maltose transport / maltodextrin transmembrane transport / ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing / periplasmic space ...
Similarity search - Function

Biological species

Serratia sp. (bacteria)

Arabidopsis thaliana (thale cress)
synthetic construct (others)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.04 Å

Authors

Nosaki, S. / Tanokura, M. / Miyakawa, T.

Funding support

Japan, 2items

Citation

Journal: Nat.Plants / Year: 2022
Title: Brassinosteroid-induced gene repression requires specific and tight promoter binding of BIL1/BZR1 via DNA shape readout.
Authors: Nosaki, S. / Mitsuda, N. / Sakamoto, S. / Kusubayashi, K. / Yamagami, A. / Xu, Y. / Bui, T.B.C. / Terada, T. / Miura, K. / Nakano, T. / Tanokura, M. / Miyakawa, T.

History

Deposition	Oct 10, 2021	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Dec 7, 2022	Provider: repository / Type: Initial release
Revision 1.1	Dec 28, 2022	Group: Database references / Category: citation / citation_author Item: _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2	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_author.identifier_ORCID
Revision 1.3	Nov 29, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	7vn8.cif.gz	851.9 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	7vn8_validation.pdf.gz	1.9 MB	Display	wwPDB validaton report
Full document	7vn8_full_validation.pdf.gz	2 MB	Display
Data in XML	7vn8_validation.xml.gz	63.4 KB	Display
Data in CIF	7vn8_validation.cif.gz	87.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/vn/7vn8 ftp://data.pdbj.org/pub/pdb/validation_reports/vn/7vn8	HTTPS FTP

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Related structure data

Related structure data	7vn2C 7vn3C 7vn4C 7vn5C 7vn6C 7vn7C 5zd4S S: Starting model for refinement C: citing same article (ref.)
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	#67 - Jul 2005 TATA-Binding Protein similarity (1) #168 - Dec 2013 DNA Helicase similarity (1) #255 - Mar 2021 Cisplatin and DNA similarity (1) #91 - Jul 2007 Thymine Dimers similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #181 - Jan 2015 Cascade and CRISPR similarity (1) #253 - Jan 2021 Expressome similarity (1) #112 - Apr 2009 Oct and Sox Transcription Factors similarity (1) #135 - Mar 2011 Integrase similarity (1) #150 - Jun 2012 Sliding Clamps similarity (1) #180 - Dec 2014 TAL Effectors similarity (1) #227 - Nov 2018 Telomerase similarity (1) #48 - Dec 2003 Catabolite Activator Protein similarity (1) #84 - Dec 2006 Transposase similarity (1) #139 - Jul 2011 DNA Methyltransferase similarity (1) #155 - Nov 2012 Vitamin D Receptor similarity (1) #3 - Mar 2000 DNA Polymerase similarity (1) #40 - Apr 2003 RNA Polymerase similarity (1) #73 - Jan 2006 Topoisomerase similarity (1) #87 - Mar 2007 Zinc Fingers similarity (1) #119 - Nov 2009 Designed DNA Crystal similarity (1) #125 - May 2010 Parvoviruses similarity (1) #131 - Nov 2010 Inteins similarity (1) #160 - Apr 2013 Actinomycin similarity (1) #190 - Oct 2015 Two-component Systems similarity (1) #23 - Nov 2001 DNA similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #257 - May 2021 Fetal Hemoglobin similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1) #31 - Jul 2002 p53 Tumor Suppressor similarity (1) #33 - Sep 2002 HIV Reverse Transcriptase similarity (1) #39 - Mar 2003 lac Repressor similarity (1) #45 - Sep 2003 Estrogen Receptor similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #7 - Jul 2000 Nucleosome similarity (1) #8 - Aug 2000 Restriction Enzymes similarity (1) #92 - Aug 2007 Anabolic Steroids similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1) #205 - Jan 2017 Nuclear Pore Complex similarity (6) #221 - May 2018 Human Papillomavirus and Vaccines similarity (6) #90 - Jun 2007 Fatty Acid Synthase similarity (3) #243 - Mar 2020 Voltage-gated Sodium Channels similarity (5) #100 - Apr 2008 Adrenergic Receptors similarity (1) #138 - Jun 2011 Glucansucrase similarity (1) #208 - Apr 2017 Glucose Transporters similarity (1) #74 - Feb 2006 alpha-Amylase similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

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Deposited unit

C: Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1

D: Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1

G: DNA (5'-D(*TP*TP*GP*TP*CP*AP*CP*GP*TP*GP*AP*CP*AP*AP*A)-3')

H: DNA (5'-D(*TP*TP*GP*TP*CP*AP*CP*GP*TP*GP*AP*CP*AP*AP*A)-3')

A: Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1

B: Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1

E: DNA (5'-D(*TP*TP*GP*TP*CP*AP*CP*GP*TP*GP*AP*CP*AP*AP*A)-3')

F: DNA (5'-D(*TP*TP*GP*TP*CP*AP*CP*GP*TP*GP*AP*CP*AP*AP*A)-3')

hetero molecules

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

1

C: Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1

D: Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1

G: DNA (5'-D(*TP*TP*GP*TP*CP*AP*CP*GP*TP*GP*AP*CP*AP*AP*A)-3')

H: DNA (5'-D(*TP*TP*GP*TP*CP*AP*CP*GP*TP*GP*AP*CP*AP*AP*A)-3')

hetero molecules

defined by author&software
Evidence: isothermal titration calorimetry
107 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

A: Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1

B: Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1

E: DNA (5'-D(*TP*TP*GP*TP*CP*AP*CP*GP*TP*GP*AP*CP*AP*AP*A)-3')

F: DNA (5'-D(*TP*TP*GP*TP*CP*AP*CP*GP*TP*GP*AP*CP*AP*AP*A)-3')

hetero molecules

defined by author&software
107 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	102.402, 94.470, 112.941
Angle α, β, γ (deg.)	90.000, 100.650, 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

Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1 / Protein BIN2 SUBSTRATE 2

Mass: 48419.836 Da / Num. of mol.: 4 / Mutation: D82A,K83A,E172A,N173A,K239A,E359A,K362A,D363A
Source method: isolated from a genetically manipulated source
Details: The fused Maltose binding protein is derived from Escherichia coli O157:H7
Source: (gene. exp.)

Serratia sp. (strain FS14) (bacteria), (gene. exp.)

Arabidopsis thaliana (thale cress)
Strain: FS14 / Gene: malE, JW3994, BZR1, BIS2, At1g75080, F9E10_7 / Production host:

Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A4P1LXE0, UniProt: Q8S307

#2: DNA chain

DNA (5'-D(*TP*TP*GP*TP*CP*AP*CP*GP*TP*GP*AP*CP*AP*AP*A)-3')

Mass: 4593.011 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

#3: Polysaccharide

alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose

Type: oligosaccharide, Oligosaccharide / Class: Nutrient / Mass: 342.297 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Details: oligosaccharide / References: alpha-maltose

#4: Chemical

ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL

Mass: 62.068 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C₂H₆O₂

#5: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 231 / Source method: isolated from a natural source / Formula: H₂O

Has ligand of interest

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: 2.53 Å³/Da / Density % sol: 51.42 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 50 mM sodium cacodylate pH 6.5, 200 mM potassium chloride, 10 mM magnesium chloride and 10% (w/v) polyethylene glycol (PEG) 4000

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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: Feb 17, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.98→47.85 Å / Num. obs: 146131 / % possible obs: 99.4 % / Redundancy: 3.4 % / B_iso Wilson estimate: 34.4 Å² / CC_1/2: 0.999 / Net I/σ(I): 12.9
Reflection shell	Resolution: 1.98→2.01 Å / Mean I/σ(I) obs: 1.5 / Num. unique obs: 7248 / CC_1/2: 0.635

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Processing

Software

Name	Version	Classification
PHENIX	1.18_3855	refinement
XDS		data reduction
Aimless		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5ZD4

5zd4

Resolution: 2.04→37.01 Å / SU ML: 0.25 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 29.119
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2405	6663	5.03 %
R_work	0.2135	125796	-
obs	0.2149	132459	99.15 %

Solvent computation

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

Displacement parameters

B_iso mean: 47.63 Å²

Refinement step

Cycle: LAST / Resolution: 2.04→37.01 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13592	1220	136	231	15179

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0076	15405
X-RAY DIFFRACTION	f_angle_d	0.7107	21138
X-RAY DIFFRACTION	f_chiral_restr	0.0584	2306
X-RAY DIFFRACTION	f_plane_restr	0.0036	2526
X-RAY DIFFRACTION	f_dihedral_angle_d	24.2049	5759

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 (%)
2.04-2.07	0.3677	170	0.3027	4198	X-RAY DIFFRACTION	99.59
2.07-2.09	0.3579	230	0.2917	4216	X-RAY DIFFRACTION	99.42
2.09-2.12	0.2993	215	0.2856	4178	X-RAY DIFFRACTION	99.66
2.12-2.14	0.322	242	0.2649	4202	X-RAY DIFFRACTION	99.49
2.14-2.17	0.3114	222	0.2723	4185	X-RAY DIFFRACTION	99.66
2.17-2.2	0.3158	202	0.2583	4198	X-RAY DIFFRACTION	99.68
2.2-2.23	0.28	236	0.2582	4171	X-RAY DIFFRACTION	99.8
2.23-2.27	0.2979	240	0.2629	4226	X-RAY DIFFRACTION	99.71
2.27-2.3	0.3177	227	0.2635	4190	X-RAY DIFFRACTION	99.8
2.3-2.34	0.2963	221	0.2481	4183	X-RAY DIFFRACTION	99.66
2.34-2.38	0.291	213	0.2514	4216	X-RAY DIFFRACTION	99.68
2.38-2.42	0.2839	240	0.2491	4182	X-RAY DIFFRACTION	99.8
2.42-2.47	0.2646	207	0.2476	4227	X-RAY DIFFRACTION	99.71
2.47-2.52	0.2952	221	0.2443	4171	X-RAY DIFFRACTION	99.7
2.52-2.58	0.2588	247	0.2455	4199	X-RAY DIFFRACTION	99.62
2.58-2.64	0.2885	224	0.2392	4231	X-RAY DIFFRACTION	99.84
2.64-2.7	0.2689	204	0.2447	4215	X-RAY DIFFRACTION	99.37
2.7-2.78	0.2991	219	0.2409	4213	X-RAY DIFFRACTION	99.46
2.78-2.86	0.2915	234	0.2534	4173	X-RAY DIFFRACTION	99.41
2.86-2.95	0.2678	227	0.2504	4202	X-RAY DIFFRACTION	99.39
2.95-3.05	0.2681	236	0.2408	4168	X-RAY DIFFRACTION	99.21
3.05-3.18	0.2701	232	0.2423	4185	X-RAY DIFFRACTION	99.06
3.18-3.32	0.257	201	0.2246	4194	X-RAY DIFFRACTION	98.48
3.32-3.5	0.2424	220	0.2118	4187	X-RAY DIFFRACTION	98.61
3.5-3.71	0.2157	219	0.2081	4160	X-RAY DIFFRACTION	98.54
3.71-4	0.2288	232	0.1874	4163	X-RAY DIFFRACTION	98.37
4-4.4	0.1901	215	0.1658	4183	X-RAY DIFFRACTION	98.08
4.4-5.04	0.1809	216	0.1548	4204	X-RAY DIFFRACTION	98.62
5.04-6.34	0.2182	225	0.1745	4228	X-RAY DIFFRACTION	98.21
6.34-37.01	0.137	226	0.1571	4148	X-RAY DIFFRACTION	95.27

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	2.30536106676	1.1354615058	0.591106818174	2.28825664547	-0.269104022511	2.05999456297	0.0564825324297	0.321722851782	-0.327100184917	0.0958910269017	0.0794885525642	-0.161241128012	0.216354866214	-0.15196196257	-0.122363380117	0.23981923644	0.0399600359588	0.042116415406	0.304246586055	-0.0355247325478	0.226953331348	-14.4548559598	3.93437645858	45.7661336859
2	2.43254797725	0.284024261386	0.502016180779	2.77817887758	0.864142762035	3.09776442667	0.071453721956	0.0520102510944	-0.331479717368	-0.124193167543	0.0829863829407	-0.0282899890829	0.783677908275	0.0136773284977	-0.149316775935	0.431805313701	0.0106550839941	0.00993670142057	0.226375552246	0.0731165034234	0.250589922024	-2.63745561542	-37.0682250957	26.5517293792
3	0.874438632602	-0.0153374822298	-0.901523693669	0.872458843942	0.469733262242	4.01896993074	0.154175489606	-0.0439941469864	0.0999656785575	0.0817734837513	0.208592288079	0.00769885859315	0.172811620208	-0.374672667732	-0.292545326917	0.337621684302	0.0160838551828	-0.0123180466438	0.247218996875	0.0350139138995	0.239992154416	-6.4417657223	-24.0848997955	29.3245011121
4	0.953688002843	0.12155254199	-1.91106188397	0.978319410195	1.49052185564	2.09085774707	0.0821456839756	-0.071875662545	0.0799215068573	-0.0988747870994	0.142484574914	-0.0887573122996	0.151550433429	0.486132049921	-0.287876629642	0.372952735431	0.00510558842311	-0.020702701098	0.364653979933	-0.0121384461827	0.275475715148	-3.32468591019	-24.1159337058	25.8537684228
5	4.1182959449	0.119499363172	0.0136225512051	0.768168529179	-0.0270363447055	0.67307203256	0.0673117670564	0.223237805316	0.185470169327	-0.0362718046836	-0.0880407345724	0.0254890687015	-0.046049248653	0.0847666408381	0.0260830928295	0.251215765211	0.0682494364185	0.0157878364232	0.275485302683	0.0194838878097	0.172723302425	39.6988489689	-13.553141701	44.3402780998
6	1.15719914084	-0.584720000715	0.154124035978	3.13564562733	-2.25539626369	1.56629640521	-0.259824777135	0.379601811878	-0.0346675333667	-0.249058034485	0.426143328449	0.380877764401	-0.262106270922	-0.46496275916	-0.162725337446	0.783344358907	-0.0496705760092	-0.16309101578	0.688134932089	-0.0276898	0.548175410168	45.3625230633	30.0339146845	30.0039096041
7	3.18421600523	-0.0875764250052	-0.280705129935	1.26251916989	-0.165754665269	2.24825303676	0.0226745829929	0.0586699564772	0.0630227580722	-0.0835490088438	0.00276725378043	0.23249401636	0.10178822127	-0.82918551077	-0.0191072900378	0.238926584966	-0.0730997074251	-0.0146647033399	0.528654359676	0.00452601976213	0.205069773163	52.3323646371	-14.0969265234	11.3732346927
8	0.905257018432	0.794685624202	-0.523679492108	2.62762971602	1.04351782664	1.59502250774	-0.118043711356	0.0167432658013	0.122474772563	0.369695260753	0.310326561939	-0.146626985059	-0.206169006025	0.223559868307	-0.179132066242	0.894759203121	-0.0570737278014	-0.149415255972	0.829198403018	0.082863422271	0.616036894418	47.6296277122	36.7383565458	29.767173267
9	0.0277532358526	-0.0650530153488	-0.0123981579729	0.661633052442	1.73133296672	4.06309996535	0.341421198048	0.305200461494	-0.0886554476151	0.0964450417415	0.000375999596266	0.0277251176449	1.49489775425	-0.179887184913	-0.296391820344	0.973634813924	-0.011187192007	-0.0653589247779	0.96416865316	0.00706713434669	0.443171727032	46.6096839354	24.1934234924	29.808885571
10	0.103944292271	0.167870515668	-0.699482030699	0.188853614989	-1.25842020409	6.15849093082	0.30736906196	-0.038379412246	-0.144310055946	-0.111701049154	-0.0657133079347	0.0691086481954	1.18486319906	0.212553102163	-0.196037188749	0.813333536413	0.0399463465004	-0.0698843366602	0.898301248365	-0.00888006254819	0.40622225264	45.0234545014	24.1353028984	25.8536889574
11	9.61296412276	-0.619373831803	0.787927068895	4.74658069649	0.440545302068	4.51348090051	0.156666769662	-0.850283970996	0.106943126325	0.307566030504	0.0566301003907	0.649976209371	-0.262553369563	-0.667108668564	-0.191309402946	0.30959711062	0.0546467644323	0.0877074912148	0.371645721918	0.0434383446724	0.233532005232	-21.0069160036	18.6826714922	18.7826120028
12	4.56253633499	0.873176709527	-0.149469936492	3.08505777813	-0.194218233162	2.7317856163	0.0531235418148	0.112660250751	-0.243001967041	-0.267776919775	0.0470630646557	0.317980991288	0.0806440522294	-0.257812061471	-0.0808338165176	0.234099813651	0.036741008161	0.00024645121296	0.173216844766	0.000748066162157	0.204524231815	-12.8945880397	11.2192843768	6.55681694806
13	2.53670360256	-0.266547785758	-0.301880089031	2.73714565372	0.874989821095	2.59110760811	0.0474575347857	-0.282495297505	0.136371408176	-0.0741701596751	0.0654040219256	-0.485033475266	-0.247113416228	0.571221354119	-0.107459063575	0.258676060253	-0.0799174643374	0.0578353307564	0.356705084334	0.0428625617323	0.268837628456	11.1792288396	16.0107209307	14.0329432181
14	4.25572594923	-0.213124536794	-0.727851399534	2.06805369967	-0.277023031092	2.0809856723	0.209129810996	0.128893637373	0.358763663324	-0.236142382378	-0.0427195377785	0.194713476367	-0.455685088829	-0.127445881524	-0.165188669854	0.372873325445	0.0180487731719	0.0142538519274	0.214780570234	0.0392431674199	0.194493553091	-10.2822004846	21.1966436146	6.54924541321
15	2.73392135956	-0.276938753101	0.189880358223	2.09887686106	1.24017489372	2.39627564164	0.0638818754066	-0.310308231927	-0.412433982112	-0.133333851872	-0.111422563913	-0.163230237116	0.326284191927	0.277788195674	0.0287313752125	0.237440287766	-0.00340973922645	0.0748068613042	0.269639168766	0.0804985619944	0.269333648419	3.92073913983	4.1554293185	9.9544677186
16	2.97850456149	-1.37512153855	0.766605632977	2.24754102118	-6.78654187685	9.4427363826	0.0783106903018	-0.108302022339	-0.0482460977043	-0.125495804775	0.106407341106	0.297542783444	0.547240470896	-0.164122261246	-0.258131205409	0.297970266778	-0.0204909485643	-0.0114471200515	0.161397311238	-0.0132003117873	0.17965322025	-13.0258750506	-29.3004256729	22.2682753753
17	5.46081945259	-0.542920902025	-0.679220075053	5.01627378534	1.84745330184	2.89619930445	-0.223798218144	-0.593061524506	-0.989448944854	0.47255612362	0.0972033041534	-0.0969044824905	1.16578259679	0.307888238224	0.129399078154	0.791186524501	0.115757906964	-0.00826902633335	0.33088581359	0.0975149226339	0.410732421681	-1.30810426766	-44.2492097816	34.7382787945
18	2.07719119397	0.076190152173	0.329069776434	4.5819310364	-0.543738797573	5.46958781046	0.0911319556537	0.682065765296	0.0881233390053	-0.201024757565	-0.0411995169338	-0.64613023647	-0.277793359332	0.541639317867	-0.0265895881642	0.319823939123	-0.0252430034419	0.0431341385951	0.369745939731	-0.00524235807618	0.336979334442	9.94625292869	19.2548607986	36.8604872733
19	4.5849910594	0.279833149491	-0.0666339137594	3.79306083386	0.613643095743	3.59028797698	0.0544118763167	0.0365300705063	-0.455582345417	0.311496777815	0.0430365706854	-0.260492378703	0.497628598679	0.367583708482	-0.142502780149	0.260060689755	0.0316502942789	-0.0585612673419	0.252178857898	0.00274770928249	0.248429006673	4.83671218311	9.59406247367	49.60429569
20	2.856522957	0.32562388922	-0.0247834041789	1.34260031852	-0.134697182175	2.11944838082	-0.0269687607279	0.152088610372	0.190268419238	0.101605869405	0.133647376075	0.247821418774	-0.224854861311	-0.521953917345	-0.112138501492	0.30359369098	0.0773561270254	0.0489033627657	0.354087230539	0.0186886205305	0.218318742916	-17.0677017973	15.8367616706	43.5333179818
21	7.32019004366	-0.225985055118	0.143119057062	2.69479034431	-0.552473013275	3.74531093012	0.0652677659809	-0.0456852891218	1.06473670447	0.141751638703	0.0835069936327	-0.167851650363	-1.08773637464	0.139463038663	-0.139879432133	0.508536653187	-0.0196407635652	0.0146304024536	0.21023210158	-0.016635292565	0.350514390519	0.155263664252	28.7399615067	49.111020118

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 'D' and (resid -33 through 26 )	D	C	-33 - 26	316 - 375
2	2	chain 'D' and (resid 27 through 88 )	D	C	27 - 88	376 - 437
3	3	chain 'G' and (resid -3 through 11 )	G	E	-3 - 11
4	4	chain 'H' and (resid -3 through 11 )	H	F	-3 - 11
5	5	chain 'A' and (resid -347 through 4 )	A	G	-347 - 4	1 - 352
6	6	chain 'A' and (resid 5 through 88 )	A	G	5 - 88	353 - 436
7	7	chain 'B' and (resid -347 through 26 )	B	I	-347 - 26	1 - 374
8	8	chain 'B' and (resid 27 through 88 )	B	I	27 - 88	375 - 436
9	9	chain 'E' and (resid -3 through 11 )	E	K	-3 - 11
10	10	chain 'F' and (resid -3 through 11 )	F	L	-3 - 11
11	11	chain 'C' and (resid -348 through -306 )	C	A	-348 - -306	1 - 43
12	12	chain 'C' and (resid -305 through -230 )	C	A	-305 - -230	44 - 119
13	13	chain 'C' and (resid -229 through -103 )	C	A	-229 - -103	120 - 246
14	14	chain 'C' and (resid -102 through -34 )	C	A	-102 - -34	247 - 315
15	15	chain 'C' and (resid -33 through 26 )	C	A	-33 - 26	316 - 375
16	16	chain 'C' and (resid 27 through 54 )	C	A	27 - 54	376 - 403
17	17	chain 'C' and (resid 55 through 88 )	C	A	55 - 88	404 - 437
18	18	chain 'D' and (resid -348 through -306 )	D	C	-348 - -306	1 - 43
19	19	chain 'D' and (resid -305 through -243 )	D	C	-305 - -243	44 - 106
20	20	chain 'D' and (resid -242 through -66 )	D	C	-242 - -66	107 - 283
21	21	chain 'D' and (resid -65 through -34 )	D	C	-65 - -34	284 - 315

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