PDB-7x9s: Crystal structure of a complex between the antirepressor GmaR and...

ID or keywords:

Entry

Database: PDB / ID: 7x9s

Title

Crystal structure of a complex between the antirepressor GmaR and the transcriptional repressor MogR

Components

GmaR
Motility gene repressor MogR

Keywords

PROTEIN BINDING/TRANSCRIPTION / Antirepressor /

repressor /

TRANSFERASE / PROTEIN BINDING-TRANSCRIPTION complex /

PROTEIN BINDING

Function / homology

Function and homology information

transferase activity
Similarity search - Function

Biological species

Listeria monocytogenes (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.11 Å

Authors

Cho, S.Y. / Na, H.W. / Oh, H.B. / Kwak, Y.M. / Song, W.S. / Park, S.C. / Yoon, S.I.

Funding support

Korea, Republic Of, 1items

Citation

Journal: Nucleic Acids Res. / Year: 2022
Title: Structural basis of flagellar motility regulation by the MogR repressor and the GmaR antirepressor in Listeria monocytogenes.
Authors: Cho, S.Y. / Na, H.W. / Oh, H.B. / Kwak, Y.M. / Song, W.S. / Park, S.C. / Jeon, W.J. / Cho, H. / Oh, B.C. / Park, J. / Kang, S.G. / Lee, G.S. / Yoon, S.I.

History

Deposition	Mar 16, 2022	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Nov 23, 2022	Provider: repository / Type: Initial release
Revision 1.1	Nov 29, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7x9s.cif.gz	702.5 KB	Display	PDBx/mmCIF format
PDB format	pdb7x9s.ent.gz	518.7 KB	Display	PDB format
PDBx/mmJSON format	7x9s.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/x9/7x9s ftp://data.pdbj.org/pub/pdb/validation_reports/x9/7x9s	HTTPS FTP

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Related structure data

Related structure data	7x9rSC 3fdqS 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	#254 - Feb 2021 Cellulose Synthase similarity (3) #141 - Sep 2011 O-GlcNAc Transferase similarity (3) #156 - Dec 2012 ABO Blood Type Glycosyltransferases similarity (1) #230 - Feb 2019 Initiation Factor eIF4E similarity (3) #166 - Oct 2013 Proteasome similarity (2)

Deposited unit

A: GmaR

B: Motility gene repressor MogR

C: GmaR

D: Motility gene repressor MogR

E: GmaR

F: Motility gene repressor MogR

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

1

A: GmaR

B: Motility gene repressor MogR

defined by author&software
Evidence: gel filtration
67.1 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: GmaR

D: Motility gene repressor MogR

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

3

E: GmaR

F: Motility gene repressor MogR

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

Unit cell

Length a, b, c (Å)	91.870, 91.992, 268.990
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁
Space group name Hall	P2ac2ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x,y+1/2,-z+1/2 #4: -x+1/2,-y,z+1/2

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1
3	1
1	2
2	2

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	1	HIS	HIS	ALA	ALA	(chain 'A' and (resid 233 through 300 or (resid 301...	A	A	233 - 303	9 - 79
1	2	1	TYR	TYR	PHE	PHE	(chain 'A' and (resid 233 through 300 or (resid 301...	A	A	306 - 340	82 - 116
1	3	1	ALA	ALA	ASN	ASN	(chain 'A' and (resid 233 through 300 or (resid 301...	A	A	343 - 601	119 - 377
1	4	1	ALA	ALA	THR	THR	(chain 'A' and (resid 233 through 300 or (resid 301...	A	A	603 - 627	379 - 403
2	5	1	HIS	HIS	ALA	ALA	(chain 'C' and (resid 233 through 250 or (resid 251...	C	C	233 - 303	9 - 79
2	6	1	TYR	TYR	PHE	PHE	(chain 'C' and (resid 233 through 250 or (resid 251...	C	C	306 - 340	82 - 116
2	7	1	ALA	ALA	ASN	ASN	(chain 'C' and (resid 233 through 250 or (resid 251...	C	C	343 - 601	119 - 377
2	8	1	ALA	ALA	THR	THR	(chain 'C' and (resid 233 through 250 or (resid 251...	C	C	603 - 627	379 - 403
3	9	1	HIS	HIS	ALA	ALA	(chain 'E' and (resid 233 through 250 or (resid 251...	E	E	233 - 303	9 - 79
3	10	1	TYR	TYR	PHE	PHE	(chain 'E' and (resid 233 through 250 or (resid 251...	E	E	306 - 340	82 - 116
3	11	1	ALA	ALA	ASN	ASN	(chain 'E' and (resid 233 through 250 or (resid 251...	E	E	343 - 601	119 - 377
3	12	1	ALA	ALA	THR	THR	(chain 'E' and (resid 233 through 250 or (resid 251...	E	E	603 - 627	379 - 403
1	13	2	GLU	GLU	GLN	GLN	(chain 'B' and (resid 5 through 62 or (resid 63...	B	B	5 - 16	11 - 22
1	14	2	THR	THR	PRO	PRO	(chain 'B' and (resid 5 through 62 or (resid 63...	B	B	25 - 134	31 - 140
1	15	2	THR	THR	PHE	PHE	(chain 'B' and (resid 5 through 62 or (resid 63...	B	B	153 - 156	159 - 162
2	16	2	GLU	GLU	GLN	GLN	(chain 'F' and (resid 5 through 16 or (resid 17...	F	F	5 - 16	11 - 22
2	17	2	THR	THR	PRO	PRO	(chain 'F' and (resid 5 through 16 or (resid 17...	F	F	25 - 134	31 - 140
2	18	2	THR	THR	PHE	PHE	(chain 'F' and (resid 5 through 16 or (resid 17...	F	F	153 - 156	159 - 162

NCS ensembles :

ID
1
2

#1: Protein	GmaR / Glycosyltransferase Mass: 47809.969 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Listeria monocytogenes (bacteria) Gene: B1O25_01135, B4X79_02990, B4X80_02895, B4X87_02980, B4X92_06885, B4Y36_05390, B4Y57_05390 Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A3A6YDN3
#2: Protein	Motility gene repressor MogR / Motility genes transcriptional repressor MogR Mass: 19309.281 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Listeria monocytogenes (bacteria) Gene: mogR, AF006_02860, APD94_05535, B1N38_01800, B1N40_07710, B1O10_02675, B1O25_01060, B4Y29_07380, B4Y40_02825, B4Y56_05470, B4Y57_05465, D4U00_09220, D4U23_03070, D6P18_12875, E1V33_14790, F3O35_ ...Gene: mogR, AF006_02860, APD94_05535, B1N38_01800, B1N40_07710, B1O10_02675, B1O25_01060, B4Y29_07380, B4Y40_02825, B4Y56_05470, B4Y57_05465, D4U00_09220, D4U23_03070, D6P18_12875, E1V33_14790, F3O35_02870, FC284_03505, FR217_11725, G3R95_001605, GEK29_05490, GFK29_02230, GON91_13840, GYP27_07090, GZK40_02265, I6I37_07885, JKV73_02241, JKV74_10915, JKX61_03425 Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A3H0QY60

#1: Protein

GmaR / Glycosyltransferase

Mass: 47809.969 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Listeria monocytogenes (bacteria)
Gene: B1O25_01135, B4X79_02990, B4X80_02895, B4X87_02980, B4X92_06885, B4Y36_05390, B4Y57_05390
Production host:

Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A3A6YDN3

#2: Protein

Motility gene repressor MogR / Motility genes transcriptional repressor MogR

Mass: 19309.281 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Listeria monocytogenes (bacteria)
Gene: mogR, AF006_02860, APD94_05535, B1N38_01800, B1N40_07710, B1O10_02675, B1O25_01060, B4Y29_07380, B4Y40_02825, B4Y56_05470, B4Y57_05465, D4U00_09220, D4U23_03070, D6P18_12875, E1V33_14790, F3O35_ ...
Production host:

Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A3H0QY60

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.86 Å³/Da / Density % sol: 56.93 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, sitting drop Details: PEG 4000, ammonium acetate, glycerol, sodium citrate

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: PAL/PLS / Beamline: 7A (6B, 6C1) / Wavelength: 0.9794 Å
Detector	Type: ADSC QUANTUM 270 / Detector: CCD / Date: Sep 19, 2018
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9794 Å / Relative weight: 1
Reflection	Resolution: 3.11→30 Å / Num. obs: 43043 / % possible obs: 99.9 % / Redundancy: 4.5 % / B_iso Wilson estimate: 86.96 Å² / CC_1/2: 0.993 / Net I/σ(I): 16.7
Reflection shell	Resolution: 3.11→3.16 Å / Mean I/σ(I) obs: 1.3 / Num. unique obs: 2094 / CC_1/2: 0.344 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	1.15.2_3472	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3FDQ, 7X9R

3fdq

7x9r

Resolution: 3.11→29.49 Å / SU ML: 0.4625 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.6119
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2411	2127	5.09 %
R_work	0.195	39674	-
obs	0.1974	41801	99.92 %

Solvent computation

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

Displacement parameters

B_iso mean: 87.53 Å²

Refinement step

Cycle: LAST / Resolution: 3.11→29.49 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12093	0	0	0	12093

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0073	12360
X-RAY DIFFRACTION	f_angle_d	0.8881	16862
X-RAY DIFFRACTION	f_chiral_restr	0.0516	1953
X-RAY DIFFRACTION	f_plane_restr	0.0061	2164
X-RAY DIFFRACTION	f_dihedral_angle_d	16.6892	4260

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 (%)
3.11-3.18	0.4344	152	0.3463	2592	X-RAY DIFFRACTION	99.89
3.18-3.26	0.3642	141	0.2977	2609	X-RAY DIFFRACTION	99.82
3.26-3.35	0.3107	117	0.2623	2625	X-RAY DIFFRACTION	100
3.35-3.45	0.2937	149	0.2452	2575	X-RAY DIFFRACTION	99.93
3.45-3.56	0.3242	113	0.2164	2665	X-RAY DIFFRACTION	99.96
3.56-3.69	0.2537	160	0.1983	2602	X-RAY DIFFRACTION	99.93
3.69-3.83	0.2508	140	0.1916	2632	X-RAY DIFFRACTION	99.96
3.83-4.01	0.2384	122	0.1843	2613	X-RAY DIFFRACTION	99.93
4.01-4.22	0.2164	154	0.1664	2623	X-RAY DIFFRACTION	100
4.22-4.48	0.1851	143	0.1568	2622	X-RAY DIFFRACTION	100
4.48-4.83	0.2033	143	0.1634	2663	X-RAY DIFFRACTION	99.96
4.83-5.31	0.2484	131	0.1904	2641	X-RAY DIFFRACTION	99.96
5.31-6.07	0.2754	115	0.2222	2727	X-RAY DIFFRACTION	99.96
6.07-7.63	0.2668	158	0.2029	2703	X-RAY DIFFRACTION	99.9
7.63-29.49	0.1972	189	0.1687	2782	X-RAY DIFFRACTION	99.63

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	1.83730222934	-2.13550443857	1.1021838685	1.97719077467	-1.25787510362	6.74474699788	0.0650596683897	-0.218819409806	-0.206016365788	0.0379376513318	-0.0595095978825	-0.159959641061	0.271748982228	0.615412584568	-0.00127051310347	0.604812978212	0.0197109060824	0.0950674731078	0.260480815421	-0.0235558503162	0.664611458878	10.4341027137	-1.40148247752	-18.7211247203
2	8.32002180602	0.270643499436	-1.23837776269	0.653151259737	0.913556744527	1.42008756986	0.106596772233	-0.185053918705	-0.057901534003	-0.0849793727401	-0.185471410363	0.134280058131	0.0145215730693	0.0403377384131	0.119129928475	0.926664967331	0.0563750288888	-0.00953916480221	0.327942688578	-0.010175423993	0.623156599351	-8.48706423462	9.19052588496	3.88451385107
3	4.87634893467	-2.76662934226	-2.03832021416	2.38581455397	1.72099415932	1.61930937897	0.0673947201407	0.0710049464289	-0.449017803425	0.00235772918429	-0.305231787299	0.402895612597	0.0420345296619	-0.162954691151	0.275303280147	0.592705948677	-0.097285918792	-0.037807817764	0.338167006468	0.0288823738435	0.770608042371	-8.59844388023	-17.1777870484	-5.87164391226
4	0.0189640179281	0.0253718573991	0.277339870916	5.0795895475	2.99246121949	6.64487087943	0.333018135377	0.152340707919	-0.261009175775	-1.1128846486	1.17171083511	-2.03663863208	-1.29134558706	1.57466393276	-0.589028621736	1.47183983834	-0.369792326148	0.761674087684	0.568716489367	0.098178986918	2.2210795889	36.4441600975	-22.2023059288	-38.9984698497
5	3.84926654636	1.81235485909	-3.24354292695	6.53108773562	1.04738694047	3.84807133002	-0.430310620053	1.12234016319	-0.0964749299936	-1.01151242993	0.339308765424	0.282466091618	0.273819610482	-0.141176646181	0.226624496786	1.27974631619	0.0692888167142	-0.119375841768	1.01250862087	-0.0886587956461	1.01973120665	19.0675073204	-27.0164461105	-41.1186376906
6	7.56664145785	-3.92842386368	0.238840403525	4.15762149486	-3.75854507936	6.30548504958	0.068211019252	0.802223009716	-0.269134612044	-0.85084148391	-0.132601208871	-1.49419588039	0.295028325935	0.944011446311	0.0934159794736	0.949279161747	-0.0465560782551	0.0177079967112	0.528286130298	-0.0744979050667	1.13528523342	27.3033872203	-29.9222194916	-31.5806817193
7	7.3224039519	-0.585010596422	-0.964791623602	4.80896055854	1.7466796132	7.26009436239	0.0333158359352	0.341028680043	-0.560044682637	-0.491137735307	0.134544325811	-0.269510394826	0.0733506138239	0.123010484214	-0.130871418637	0.785762254416	0.0384142309074	0.107954666481	0.326147948676	-0.038688041353	0.929875235161	20.6420295731	-25.9682639516	-27.8699049481
8	2.25007470386	2.24670243836	-4.37212356179	3.28012957108	-3.13439634391	9.79417781111	0.199781218472	-0.0224565134	0.349318023993	0.509662597798	-0.690164054172	0.957662043916	0.335940807338	-0.178962203012	-0.350363909757	0.652526625835	-0.238653399586	0.130756878282	0.587355164561	-0.031380289378	1.14121857086	-10.992661053	-32.3151614003	-9.05607996747
9	3.92999461398	-3.62988382157	0.188822542204	7.7561628997	-1.14578595472	1.08874760288	0.313347045902	0.411729012071	0.252465230789	-0.520177789556	-0.33666691843	-0.277432704617	-0.13334544395	0.0187967791773	0.0272611982125	0.470583211122	0.0294189045062	0.0476225069743	0.410235293704	-0.0338599508955	0.442344636374	-0.0457930426639	23.4954929933	-40.4893398325
10	7.50404859221	0.740335274349	-6.10675669329	1.22793805666	-0.596171913624	7.37521390303	-0.0936156454964	0.933075573484	0.324573378316	0.120230562735	0.219356894461	0.243785870019	-0.115543074863	-1.25995674178	-0.128061617452	0.530217975062	0.072976903127	-0.0403590329759	0.759294790938	0.0649965510844	0.564632484697	-29.7783153601	31.6501161273	-35.8144459935
11	8.66666533702	1.15696859976	-0.686396681041	0.544854587102	0.720946338881	4.51000158697	0.481744249096	-0.359628817048	0.249592027619	0.406967961109	-0.286411942051	0.0751499538715	0.306967488079	-0.05943057084	-0.203542656322	0.735865916399	-0.0127281428483	0.12345838422	0.365053912752	-0.0544397968197	0.622594873337	-25.2298695052	30.6364549753	-12.9695638858
12	3.59317106906	-0.248542542633	-2.64379309907	2.41336998359	-0.0277583607211	3.01811316305	0.567953487134	-0.334368803623	0.636085193551	0.497115719401	-0.189896409226	-0.157597347069	-0.555011600466	0.291288560874	-0.410418904102	0.786146416673	-0.177427349374	0.0156417806912	0.432633663376	-0.107303314994	0.736136572216	5.71866456167	38.851599678	-21.139933304
13	3.7482504387	1.82037284736	-5.50029062555	5.72259513558	-1.96933140015	8.66329869925	-1.00826989885	0.0936204926991	-1.65530859807	0.521641799409	-0.780833528535	-2.13635138773	2.11235241607	0.606134537874	2.23695493331	0.328452525344	-0.0365505633231	0.445370761552	1.43036269436	-0.206721753284	1.41579491289	35.1687085209	22.9704769815	-38.373962377
14	9.42861939474	-0.0201206852506	1.87071216577	2.83140750896	2.70702972181	2.97477311799	-1.08828422479	1.06796794749	-0.908483972962	0.036518953113	1.16514103189	-0.724737485048	-0.178357778492	0.615207458932	-0.19483705516	0.970732498045	0.125875457087	-0.0868932637299	1.16687561834	0.194023489747	1.23724028234	27.0516128099	18.2526207855	-25.2636834402
15	6.87009579102	-6.01959789465	-1.48570133183	8.25446336244	0.80983659149	8.90597179	0.488209104886	0.0288570015336	-0.532490250489	-0.635517770124	0.232496064003	-0.752096498965	-0.781540264474	0.374109824077	-0.557212411373	0.638837233542	-0.279488342141	0.10188923144	1.05972960111	0.183903778153	0.980701174164	29.0287218618	33.317861489	-37.3959612047
16	3.63047085334	-5.87247086271	0.304926431978	9.70165406349	0.692051495098	6.95516916291	0.795001012073	0.0478304935959	-1.61255945333	-0.0994604605088	-1.20441554194	0.450408438476	0.561260179911	0.858446983781	0.766655802799	0.482268786384	-0.0899384701714	0.182092137814	0.803297931439	-0.0179221809814	1.12001284991	23.7775636752	24.008356048	-37.184789806
17	5.3462677756	-0.273383839304	1.31324618175	2.12951201127	0.813583334535	3.69956260222	0.114068783318	0.0143034791618	-0.293947361585	0.311779189259	-0.580088982261	-0.398727958673	-0.926806868458	0.714945454122	0.518473302178	0.760538090654	-0.295291136423	-0.148862356322	0.658875569883	0.102148110775	0.946230979926	18.3214857791	35.8125987454	-20.1207368909
18	7.87758834064	0.238427221896	2.55737344159	3.88363532596	1.90487455173	7.42990210473	0.384815410248	0.575763092227	-1.05565732544	-0.500751414845	-0.0493296143888	0.425395346082	0.0802211010297	0.204292057011	-0.253437692054	0.541945586142	0.0612492298959	0.0662175297891	0.387234156239	-0.0963200873286	0.448107849992	-1.8538972159	0.307664525135	-44.464232309
19	6.87180848735	2.1351763711	1.68960941217	4.41928712249	0.0125448149516	5.51297314629	0.242318295486	0.350836554914	-1.08542253088	0.16717152473	-0.286152190745	0.159007421646	1.23911511302	-0.901079816568	0.0400524888692	0.969951113113	-0.130822434638	0.0890319135173	0.623587492297	-0.257508652335	0.821291869128	-11.2970048102	-13.8917463896	-48.1152257395
20	2.95258556366	-0.770933381317	-3.32063372973	1.27171663998	-0.407331094469	5.46013445681	-0.289604503164	0.151308909202	-0.504739858831	-0.0566685758925	-0.196184165606	0.472035013577	1.01454643429	-0.830260248007	0.476432325332	1.22203826644	-0.368515340744	0.181845026525	0.811610598385	-0.241787678343	1.33525808338	-29.8370063981	-21.5369503753	-33.7343082818
21	1.98228980813	1.13271802823	-1.80386811942	8.39774406991	-4.33041730041	8.72159029959	0.0209375003418	-0.193216168837	-0.327157994921	0.940954437966	-0.375471553154	-0.209802737483	-0.492846858304	-1.50960799315	0.297366964364	0.685679108672	-0.132613686515	0.0648394556041	1.20223039485	-0.245226586596	1.05743050937	-42.3405610436	-2.3086704787	-28.4400672457
22	4.91596156481	-1.4379774878	-4.51828281595	2.29379421559	1.60182959737	5.38360833874	0.0951180786534	0.585667889784	-0.0581892206232	-0.194426486864	-0.203148997534	0.407806168633	-0.486106572525	-1.35423865536	0.182338251531	0.728362991765	0.147532016326	-0.167582055935	1.34654797568	-0.300279478392	0.752508058794	-28.6202070362	0.0328849077169	-60.3087309183
23	5.00760848933	-3.81204712991	-0.77338702391	4.14410559632	-1.33282316014	3.06956450653	0.0526387687413	-0.704948109157	-0.0763615386359	1.56883577235	0.799248870457	-0.922822864701	-1.15837125084	0.391027432948	-0.655519013099	1.0308476976	-0.258479175748	-0.0730380603056	0.928408238326	-0.341105097439	0.785784120193	14.4000506144	-2.25945277026	-70.5877620727
24	5.88589722557	-6.61690908127	-0.829965399044	8.36272814809	-1.16028193512	4.83535466743	0.298965030257	-0.644118203174	1.27432703922	-1.71304367055	0.288081098038	-0.76758105429	0.0490716610108	0.329079947732	-0.648903382969	0.813227530414	-0.258666656653	0.19218136866	1.1389361494	-0.318127528393	0.816765482877	19.8301558502	-3.21932649085	-78.3378119864
25	6.94437204469	-6.9621281147	-4.20456550783	7.04159216865	4.96634887728	7.71489052112	-0.284301330596	0.0340516643949	1.39015906268	0.361464883785	0.591255517288	-1.47601931356	-1.02905432803	1.00153715024	-0.419203183666	1.31580003925	-0.242516407967	0.182383278884	0.740683494589	-0.371698934674	0.930385920705	11.765862141	6.87892726987	-76.5394755297
26	6.89521243677	-6.33859853912	-3.64785748006	7.45902819103	4.43315188235	2.68469215382	0.286563076771	-0.307661450745	1.47608758954	-0.151812981393	0.556413231074	-0.914415111375	-0.171559419584	-0.015191701571	-0.837037545776	1.69940562444	-0.0297158598477	0.361332551472	0.794207990381	-0.152440459108	0.86163528571	0.796148135213	14.2215884714	-66.4200089591
27	8.02139592459	3.3174162209	-1.60178224076	4.63353933095	-5.02756737368	6.21442651268	0.103284072974	0.155993052219	0.32975943266	-0.214615275274	-0.00593254505654	0.209554864624	0.174808913396	0.229933956787	-0.384656470264	0.955546055517	-0.152547304496	0.0306550360344	0.746284424919	-0.108685417621	0.687703087838	2.99595936617	0.470629263417	-78.4148342272
28	3.28427721622	4.72405180004	-3.46273593718	6.81297641361	-5.12506673145	4.68464258687	0.0513216213863	0.0849706707228	-1.09566335797	0.521780263729	-0.291711484018	-0.957774862983	-0.349947901593	-0.188201218411	0.435485098763	0.831278281882	-0.0421059719985	0.0417858604338	0.783820478622	-0.109132533253	0.625725045819	1.40477206631	-8.17562075176	-71.6152815049
29	4.18454432177	-3.26948906477	-3.04561345694	7.26302919631	-0.394271193703	3.84360437528	0.238669071421	-0.973715017156	0.296597619606	0.712940724246	-0.477999228746	0.0430667408014	-1.4393862101	-0.545445728428	0.193743964517	0.933802880374	-0.055468054323	0.0294549214338	0.724466631766	-0.269487589175	0.580044281924	3.46978239392	1.19237029788	-65.1600793817
30	8.18401783431	-1.53899382698	-1.68700490106	0.725872936328	0.0411682862841	0.32933082641	-0.0302316125886	1.403223269	0.243850056533	-0.164335504855	0.0653694256051	-0.215002409265	-0.344507164325	-0.388474653554	-0.0856331837673	1.07325423439	0.0403361774677	-0.114278722912	1.2688475974	0.000301068814258	0.598096120989	-12.5372306969	5.30909228011	-73.1590874695

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 233 through 346 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 347 through 449 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 450 through 636 )
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 5 through 38 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 39 through 73 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 74 through 90 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 91 through 134 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 135 through 161 )
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 233 through 346 )
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 347 through 449 )
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 450 through 546 )
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 547 through 627 )
13	X-RAY DIFFRACTION	13	chain 'D' and (resid 5 through 58 )
14	X-RAY DIFFRACTION	14	chain 'D' and (resid 59 through 73 )
15	X-RAY DIFFRACTION	15	chain 'D' and (resid 74 through 100 )
16	X-RAY DIFFRACTION	16	chain 'D' and (resid 101 through 112 )
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 113 through 160 )
18	X-RAY DIFFRACTION	18	chain 'E' and (resid 233 through 267 )
19	X-RAY DIFFRACTION	19	chain 'E' and (resid 268 through 346 )
20	X-RAY DIFFRACTION	20	chain 'E' and (resid 347 through 413 )
21	X-RAY DIFFRACTION	21	chain 'E' and (resid 414 through 518 )
22	X-RAY DIFFRACTION	22	chain 'E' and (resid 519 through 627 )
23	X-RAY DIFFRACTION	23	chain 'F' and (resid 5 through 18 )
24	X-RAY DIFFRACTION	24	chain 'F' and (resid 19 through 38 )
25	X-RAY DIFFRACTION	25	chain 'F' and (resid 39 through 58 )
26	X-RAY DIFFRACTION	26	chain 'F' and (resid 59 through 73 )
27	X-RAY DIFFRACTION	27	chain 'F' and (resid 74 through 89 )
28	X-RAY DIFFRACTION	28	chain 'F' and (resid 90 through 101 )
29	X-RAY DIFFRACTION	29	chain 'F' and (resid 102 through 112 )
30	X-RAY DIFFRACTION	30	chain 'F' and (resid 113 through 156 )

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