PDB-5x6d: Crystal structure of PrfA-DNA binary complex

ID or keywords:

Entry

Database: PDB / ID: 5x6d

Title

Crystal structure of PrfA-DNA binary complex

Components

DNA (28-MER)
DNA (29-MER)
Listeriolysin positive regulatory factor A

Keywords

DNA BINDING PROTEN/DNA / complex / DNA BINDING PROTEN-DNA complex

Function / homology

Function and homology information

positive regulation of single-species biofilm formation on inanimate substrate / DNA-binding transcription factor activity / DNA binding / cytosol
Similarity search - Function

Biological species

Listeria monocytogenes (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.94 Å

Authors

Wang, Y. / Feng, H. / Zhu, Y.L. / Gao, P.

Funding support

China, 1items

Citation

Journal: Protein Cell / Year: 2017
Title: Structural insights into glutathione-mediated activation of the master regulator PrfA in Listeria monocytogenes
Authors: Wang, Y. / Feng, H. / Zhu, Y. / Gao, P.

History

Deposition	Feb 21, 2017	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Apr 12, 2017	Provider: repository / Type: Initial release
Revision 1.1	Nov 22, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5x6d.cif.gz	780.9 KB	Display	PDBx/mmCIF format
PDB format	pdb5x6d.ent.gz	653 KB	Display	PDB format
PDBx/mmJSON format	5x6d.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	5x6d_validation.pdf.gz	520.1 KB	Display	wwPDB validaton report
Full document	5x6d_full_validation.pdf.gz	586.8 KB	Display
Data in XML	5x6d_validation.xml.gz	60.9 KB	Display
Data in CIF	5x6d_validation.cif.gz	83.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/x6/5x6d ftp://data.pdbj.org/pub/pdb/validation_reports/x6/5x6d	HTTPS FTP

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Related structure data

Related structure data	5x6eC 2bgcS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	5x6e-1 5x6e-3 5x6e-2 3wd7-d 3gzx-d 4908 5lrs-d 3bic-2 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

5x6eC

2bgcS

C: citing same article (ref.)

S: Starting model for refinement

Similar structure data

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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) #91 - Jul 2007 Thymine Dimers similarity (1) #255 - Mar 2021 Cisplatin and DNA similarity (1) #48 - Dec 2003 Catabolite Activator Protein similarity (7) #122 - Feb 2010 Enhanceosome similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #253 - Jan 2021 Expressome similarity (1) #181 - Jan 2015 Cascade and CRISPR similarity (1) #227 - Nov 2018 Telomerase similarity (1) #150 - Jun 2012 Sliding Clamps similarity (1) #112 - Apr 2009 Oct and Sox Transcription Factors similarity (1) #135 - Mar 2011 Integrase similarity (1) #180 - Dec 2014 TAL Effectors similarity (1) #84 - Dec 2006 Transposase similarity (1) #40 - Apr 2003 RNA Polymerase similarity (1) #87 - Mar 2007 Zinc Fingers similarity (1) #139 - Jul 2011 DNA Methyltransferase similarity (1) #155 - Nov 2012 Vitamin D Receptor similarity (1) #73 - Jan 2006 Topoisomerase similarity (1) #3 - Mar 2000 DNA Polymerase similarity (1) #7 - Jul 2000 Nucleosome similarity (1) #33 - Sep 2002 HIV Reverse Transcriptase similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #45 - Sep 2003 Estrogen Receptor similarity (1) #8 - Aug 2000 Restriction Enzymes similarity (1) #39 - Mar 2003 lac Repressor similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #31 - Jul 2002 p53 Tumor Suppressor similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1) #257 - May 2021 Fetal Hemoglobin similarity (1) #23 - Nov 2001 DNA similarity (1) #190 - Oct 2015 Two-component Systems similarity (1) #160 - Apr 2013 Actinomycin similarity (1) #131 - Nov 2010 Inteins similarity (1) #125 - May 2010 Parvoviruses similarity (1) #119 - Nov 2009 Designed DNA Crystal similarity (1) #92 - Aug 2007 Anabolic Steroids similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1) #152 - Aug 2012 cAMP-dependent Protein Kinase similarity (1) #251 - Nov 2020 Adenylyl Cyclase similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

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Deposited unit

A: Listeriolysin positive regulatory factor A

B: Listeriolysin positive regulatory factor A

C: DNA (29-MER)

D: DNA (28-MER)

G: Listeriolysin positive regulatory factor A

H: Listeriolysin positive regulatory factor A

L: DNA (28-MER)

K: DNA (29-MER)

M: Listeriolysin positive regulatory factor A

N: Listeriolysin positive regulatory factor A

O: DNA (28-MER)

P: DNA (29-MER)

217 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Listeriolysin positive regulatory factor A

B: Listeriolysin positive regulatory factor A

C: DNA (29-MER)

D: DNA (28-MER)

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

2

G: Listeriolysin positive regulatory factor A

H: Listeriolysin positive regulatory factor A

L: DNA (28-MER)

K: DNA (29-MER)

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

3

M: Listeriolysin positive regulatory factor A

N: Listeriolysin positive regulatory factor A

O: DNA (28-MER)

P: DNA (29-MER)

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

Unit cell

Length a, b, c (Å)	64.820, 96.443, 371.911
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein	Listeriolysin positive regulatory factor A / Listeriolysin positive regulatory protein / Listeriolysin regulatory protein / Pleitrophic ...Listeriolysin positive regulatory protein / Listeriolysin regulatory protein / Pleitrophic regulatory factor A / Positive regulatory factor A / PrfA / Transcriptional regulator Mass: 27329.391 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Listeria monocytogenes (bacteria) / Gene: prfA, AJL40_05990, AJN46_04535, M643_11230 / Production host: Escherichia coli (E. coli) / References: UniProt: Q4TVQ0, UniProt: P22262*PLUS
#2: DNA chain	DNA (29-MER) Mass: 8972.807 Da / Num. of mol.: 3 / Source method: obtained synthetically / Source: (synth.) Listeria monocytogenes (bacteria)
#3: DNA chain	DNA (28-MER) Mass: 8852.735 Da / Num. of mol.: 3 / Source method: obtained synthetically / Source: (synth.) Listeria monocytogenes (bacteria)

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.67 Å³/Da / Density % sol: 53.98 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / Details: 0.1M Bis-Tris, 15% PEG3350, 0.16M MgCl2, pH 6.5

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.9791 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Feb 20, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9791 Å / Relative weight: 1
Reflection	Resolution: 2.93→96.44 Å / Num. obs: 50839 / % possible obs: 99.1 % / Redundancy: 6.3 % / Net I/σ(I): 13.3

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Processing

Software

Name	Version	Classification
PHASER		phasing
PHENIX	1.8.4_1496	refinement
Coot		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2BGC

2bgc

Resolution: 2.94→19.827 Å / SU ML: 0.43 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 33.69

	R_factor	Num. reflection	% reflection
R_free	0.2659	2467	4.95 %
R_work	0.2131	-	-
obs	0.2158	49838	98.45 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Refinement step

Cycle: LAST / Resolution: 2.94→19.827 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11504	3511	0	0	15015

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	15702
X-RAY DIFFRACTION	f_angle_d	1.31	21959
X-RAY DIFFRACTION	f_dihedral_angle_d	24.326	5992
X-RAY DIFFRACTION	f_chiral_restr	0.051	2432
X-RAY DIFFRACTION	f_plane_restr	0.006	2148

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 (%)
2.94-2.9964	0.4359	120	0.3753	2535	X-RAY DIFFRACTION	97
2.9964-3.0573	0.3555	126	0.347	2612	X-RAY DIFFRACTION	99
3.0573-3.1236	0.3597	122	0.3347	2446	X-RAY DIFFRACTION	93
3.1236-3.1959	0.4034	123	0.3108	2579	X-RAY DIFFRACTION	98
3.1959-3.2755	0.3958	149	0.2833	2582	X-RAY DIFFRACTION	98
3.2755-3.3637	0.3432	119	0.2734	2615	X-RAY DIFFRACTION	98
3.3637-3.4621	0.3182	133	0.2552	2601	X-RAY DIFFRACTION	99
3.4621-3.5733	0.3439	140	0.2463	2642	X-RAY DIFFRACTION	99
3.5733-3.7002	0.2839	129	0.2438	2635	X-RAY DIFFRACTION	100
3.7002-3.8473	0.303	125	0.2487	2688	X-RAY DIFFRACTION	100
3.8473-4.021	0.2732	147	0.232	2652	X-RAY DIFFRACTION	100
4.021-4.2311	0.3045	156	0.2122	2595	X-RAY DIFFRACTION	100
4.2311-4.4933	0.2736	151	0.1912	2661	X-RAY DIFFRACTION	100
4.4933-4.8355	0.2531	126	0.1885	2598	X-RAY DIFFRACTION	96
4.8355-5.3137	0.2515	149	0.1866	2681	X-RAY DIFFRACTION	100
5.3137-6.0632	0.2578	151	0.2032	2707	X-RAY DIFFRACTION	100
6.0632-7.5677	0.2665	150	0.2095	2732	X-RAY DIFFRACTION	100
7.5677-19.8275	0.1707	151	0.1533	2810	X-RAY DIFFRACTION	97

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	0.6651	-0.1387	1.0804	0.9831	-0.0219	1.1622	0.0715	0.094	0.156	-1.2497	0.1915	0.8465	-0.2821	-0.5855	-0.0014	0.2376	0.2368	-0.0224	0.8925	0.2512	1.0669	-3.181	121.9397	366.0193
2	0.7444	-0.5706	-0.7245	2.3178	-0.5502	1.9292	-0.4042	1.4542	0.1602	-0.1492	0.21	-0.4247	0.4549	1.2556	-0.0182	1.1813	-0.1123	0.1349	1.1324	-0.0452	0.8342	10.6408	106.8762	362.6898
3	0.2095	0.5664	-0.0417	2.8761	0.2832	2.3684	0.3569	1.3395	0.2281	-0.7411	-0.3931	0.1768	2.4952	0.123	-0.0083	-0.146	-0.241	0.0353	0.7217	0.0701	0.8621	3.4762	108.4799	367.5435
4	0.0877	-0.0443	0.5271	1.4666	0.0617	1.1939	0.7308	-0.7167	0.7142	-1.2183	-0.2775	-0.5706	-0.0165	0.247	0.0029	0.7882	0.0357	0.1683	0.6365	-0.0864	0.8846	8.8044	97.9846	371.6883
5	1.9325	-0.3322	-1.3124	2.0708	-0.2627	5.3346	0.0357	0.7492	0.1795	-0.4636	-0.0989	0.1399	-0.3944	0.0319	-0.0004	0.3785	0.0405	-0.0732	0.6775	0.0318	0.7475	7.3818	115.7538	369.7344
6	-0.0512	-1.8102	0.3025	0.9926	-0.2059	2.5803	-0.5661	-0.5366	-0.0229	1.1786	1.3673	0.4656	-0.2778	-1.1697	0.0027	0.2701	-0.0558	-0.0762	0.588	0.0624	0.9116	1.4285	110.9378	382.197
7	4.6022	1.3697	2.5572	3.5581	0.8392	2.7322	0.24	0.2916	-0.3274	-0.1206	-0.2348	0.3983	0.8847	-0.9226	-0.001	0.9003	-0.2085	0.0021	0.7981	-0.0216	0.9174	-6.8357	92.0337	377.3223
8	0.3798	0.0292	0.2269	1.5252	0.1749	0.3461	0.5782	0.5791	0.1848	0.4003	-1.0192	-1.0597	-1.373	0.1329	0.0182	1.254	-0.3431	-0.2792	0.7177	-0.0279	1.4929	14.2385	127.7156	394.0097
9	2.2048	-0.5545	0.7747	1.7113	-2.1156	4.8687	-0.1157	-0.8962	0.2318	0.7584	-0.3628	0.0435	-0.3845	-0.2418	-0.0063	1.0109	-0.109	0.0618	0.8102	-0.0629	0.8722	5.7693	110.2655	401.1527
10	0.467	0.5436	-0.4508	0.5892	0.0815	1.2296	-0.2829	0.4331	-0.0917	0.7642	0.589	-0.5753	0.1825	0.8101	0.0029	0.5841	-0.1919	-0.0307	0.6039	0.0602	0.8837	10.9037	107.4002	393.5579
11	2.4222	1.2618	-0.9343	0.69	-0.2714	0.9292	-0.0888	-0.4958	-0.1123	1.169	0.1783	0.3561	-0.4584	-0.6022	0.0003	0.7209	-0.0774	0.0027	0.836	0.0205	0.8407	1.7991	110.9315	395.2256
12	1.2918	0.5764	-0.6369	1.1351	-0.5696	0.7456	-0.1205	-0.7097	0.4166	1.76	-0.1884	0.4777	-1.5705	-0.5548	0.0042	1.019	0.004	-0.099	0.8196	-0.0745	1.0113	4.3742	124.2295	394.9592
13	2.1096	0.9904	-0.5939	0.8992	-1.3376	4.7957	-0.0265	-0.3303	0.1426	0.0837	0.1405	0.2446	0.0131	0.4009	-0.0003	0.3489	-0.0176	-0.0705	0.669	0.0091	0.7881	11.3129	111.2191	382.8902
14	0.7227	-0.5225	-0.0806	0.6082	-0.5932	0.9148	-0.135	0.0759	-0.0053	0.1556	-0.5128	0.4259	1.2663	0.3962	0	0.8641	-0.0461	0.0606	0.5857	0.0424	0.747	19.7616	96.2331	388.072
15	-0.0058	0.22	-0.0099	0.2145	0.273	0.8689	1.1295	-0.7236	0.8937	1.1947	-0.3352	-0.8492	-0.4046	0.6889	0.0224	1.1093	-0.0012	-0.2744	1.2024	0.2677	1.1991	27.8264	100.6701	398.0926
16	0.3834	-0.2837	0.208	0.3175	0.0507	0.3976	0.8097	-1.4853	-1.0521	2.9329	-0.9397	0.0995	2.7168	-1.001	-0.003	1.0558	-0.1166	0.0491	0.8824	0.1423	1.0037	12.4154	91.6225	396.9005
17	1.2951	-0.1096	-0.4662	0.3266	-0.5229	0.4897	0.0657	-0.5631	-0.712	1.0216	0.0798	-1.0547	0.8418	1.1814	0	1.3114	0.1803	-0.0192	0.9575	0.0813	1.1144	26.2679	88.8315	394.7197
18	1.0877	1.1552	-0.9277	0.9221	-1.6619	1.8493	0.0294	-0.02	0.3082	0.7048	0.0531	-0.2758	0.5027	1.1834	0.0006	0.4785	0.0017	0.0104	0.7539	0.0986	0.8418	24.7834	102.9196	381.913
19	0.667	0.9065	-0.0813	0.4568	-0.1288	0.0036	1.5355	-0.6734	-1.8491	0.5074	0.6282	-0.8164	1.113	-0.5283	-0.0009	2.1358	0.0887	-0.1463	2.1024	-0.2562	1.6645	20.2584	87.3471	419.794
20	1.336	-0.7267	1.0688	0.3137	-0.5265	-0.2316	-0.1501	-0.1045	-0.807	0.1872	0.6739	0.5144	0.4648	0.0531	-0.0003	1.7166	-0.1482	-0.2554	0.9595	0.1908	1.3461	13.868	75.832	396.221
21	2.0614	-0.3349	0.1602	1.2806	1.3195	0.7017	0.7567	1.5501	-0.7281	-0.8691	0.6732	0.3211	0.0748	0.2016	0.0002	2.2258	0.0511	-0.1324	1.7204	-0.1455	1.3232	3.929	78.3039	362.4527
22	2.5821	-1.9434	1.4909	0.4908	-0.513	0.3798	0.7789	1.817	-0.7937	-1.3435	0.035	-0.1068	0.7465	1.2974	0.0009	2.3375	-0.0684	-0.1435	1.3278	-0.0831	1.4435	4.1049	76.5555	362.5357
23	2.357	-1.6803	1.0314	1.4949	-1.6005	1.4695	0.4405	-1.0194	-0.92	0.9296	0.8119	-0.445	0.3704	-0.0021	0.0014	1.9956	-0.1623	-0.1259	1.1719	0.0814	1.297	16.629	81.819	403.7469
24	0.6382	-0.0457	0.3107	-0.0373	-0.0658	0.1654	0.469	-0.068	-0.2857	1.2833	-1.249	-1.2692	0.0488	-0.5435	0.0132	0.874	-0.2224	-0.0338	1.7627	0.1614	1.204	42.9705	108.2339	461.2973
25	2.4313	1.081	0.7243	0.9273	0.2486	2.0446	0.2623	-0.7763	0.219	0.6171	-0.3306	0.1181	-0.5749	-0.2217	-0.0005	1.0731	-0.1265	0.0034	1.1283	-0.0427	0.8232	26.7704	107.8407	462.9515
26	1.5404	1.7943	0.3456	1.9529	-0.81	2.2069	-1.4199	0.1098	-0.1147	1.0668	0.5709	0.303	0.8172	-0.936	0.0077	0.9686	-0.2468	0.1214	1.1911	0.0032	0.8933	17.5072	102.681	458.4102
27	2.4138	0.8989	-0.8534	2.9689	2.0012	3.5232	0.07	-0.0508	0.485	-0.2581	0.0109	0.0246	-0.6815	1.1069	0.002	0.976	-0.2022	0.0462	1.156	0.0911	0.8474	32.0322	112.4948	457.4623
28	0.7628	-0.1325	-1.4064	0.3418	-0.4205	3.292	-0.4572	0.514	0.8117	-0.1609	0.3512	0.4268	0.6998	0.8378	0.0012	1.0044	-0.0707	0.0714	0.9844	0.1705	0.9884	30.2682	104.1293	445.6369
29	0.0973	0.3926	-0.1797	0.669	-0.1572	0.5749	-0.2273	-1.4127	-0.3775	-1.8356	-0.2345	-0.2543	2.5432	-0.3403	-0.0085	1.5829	-0.3163	0.1206	0.9822	-0.0474	0.8318	19.1468	89.7658	449.6218
30	0.9607	-0.4786	0.4431	0.3563	-0.1574	0.4514	0.3559	-0.3067	-0.0832	0.6462	-0.2417	-0.9015	0.3806	-0.1044	0.0146	1.6607	0.1929	0.0224	0.909	-0.0502	1.2435	26.3925	84.4969	459.8218
31	0.711	-0.5183	0.39	0.3787	0.2249	0.2573	0.4403	-0.9067	-0.2369	-0.4809	0.0891	0.4903	-0.318	-0.7347	0.0078	1.5228	-0.3418	0.0322	0.9667	-0.0141	0.99	10.608	89.7598	457.8231
32	0.3427	0.2814	-0.2997	0.436	-0.2916	0.3046	-0.598	-0.7963	-0.4178	2.2461	0.3023	1.2652	0.9734	0.0097	0.0302	2.392	-0.2942	-0.1382	1.2007	0.3062	1.103	19.26	78.1842	457.011
33	0.8795	-0.996	-0.7871	1.3144	0.7557	0.8982	0.0405	-0.1886	-0.1672	-0.9264	-0.1002	-0.4274	1.7535	0.3948	0.0001	1.4673	0.0538	0.0162	0.9286	-0.0274	1.0278	27.5534	88.0187	443.7337
34	4.7285	2.2355	0.0068	1.0951	1.0929	2.7259	-0.3251	0.846	0.1149	-0.9804	0.0915	-0.4484	-0.1726	-0.3945	0.0043	1.1975	-0.2507	0.1228	0.9047	0.0416	0.9038	28.9236	114.2137	426.9537
35	2.922	2.7798	-0.4766	3.3555	0.8721	3.0496	0.0851	0.2886	-0.0956	-0.1744	-0.1396	0.2637	0.5682	0.0645	-0.0001	1.1481	-0.2321	0.0304	1.0187	0.0201	0.7456	23.8425	106.1881	432.1748
36	0.5229	1.994	1.123	2.5472	-1.7491	2.9224	0.0639	0.0343	0.13	-0.0544	-0.1243	-0.2786	-0.4042	0.5598	-0.0059	1.0513	-0.1352	0.0617	0.8301	0.0144	0.9699	29.6991	112.7526	440.6299
37	2.9593	0.1037	-0.0885	1.6549	0.6605	2.7585	-0.3526	0.3658	0.5749	-0.8019	0.3133	0.7839	0.2807	-1.2302	-0.0001	1.1136	-0.1335	-0.0735	1.2556	0.0826	1.0521	3.3712	108.6133	437.4732
38	2.6857	-1.7416	-0.9289	1.9266	1.4881	1.4075	-0.165	0.3972	0.8851	0.0646	0.2585	0.5064	-1.1068	-1.4181	-0.0008	1.249	0.1627	-0.1146	1.2105	-0.0097	1.0513	4.9238	116.4645	444.1309
39	1.3979	-1.5093	2.1458	2.4607	-1.5501	4.0318	1.2245	-2.1029	-3.5279	-0.3926	1.5074	1.7404	2.0555	0.604	0.1707	2.7558	-0.1651	0.1468	2.8631	0.4204	1.0886	-2.5101	97.4169	412.3434
40	0.2888	1.0531	0.2774	1.7704	0.5872	0.2876	0.7437	0.5445	-0.1975	0.2039	0.052	0.8157	0.3014	-0.4828	0.0003	1.8769	-0.8876	-0.157	2.3876	0.2859	1.099	-7.1177	93.3618	435.0924
41	0.8871	0.708	-0.2175	0.4427	-0.2642	0.1191	-0.3629	0.3659	0.2451	-0.1489	0.4712	0.5327	0.1525	-2.6011	0.0041	1.8747	-0.5944	-0.188	1.7411	0.182	1.0736	0.4355	90.975	455.4593
42	0.0543	-0.6424	0.0199	0.524	-0.3767	0.86	1.0172	-0.1804	-0.3647	0.5611	0.2865	-0.3715	0.8992	0.0558	0.0003	1.9389	-0.2421	-0.2145	2.4131	0.0637	1.3125	8.8699	84.9	474.8583
43	1.3778	-0.1639	-0.5326	0.7726	0.4394	0.3664	0.2036	-2.3009	-0.6588	0.1737	0.5066	-0.9739	-2.1566	-1.3481	0.0032	2.1579	-0.4408	-0.4433	2.3503	0.0586	1.3266	11.2614	86.2045	476.9619
44	2.1279	1.3802	1.7331	1.629	1.1604	1.1287	0.5207	0.4887	0.0705	-0.8259	0.7592	0.5554	1.0717	-0.9815	0.0002	1.8704	-0.3701	0.0352	1.9202	0.1986	1.0568	-4.6859	94.0026	434.9832
45	2.8032	0.9807	-0.8055	3.586	-0.6358	2.3707	0.0305	-0.2182	-0.3217	0.5551	-0.2008	0.4499	0.1786	-0.705	-0.0017	0.7888	0.0489	0.0417	1.3111	-0.0586	0.8728	25.4946	50.308	444.1801
46	2.124	0.7556	1.6428	2.2462	-0.0143	3.5856	0.3116	0.1542	-0.9934	0.1484	-0.3287	-0.068	-0.0864	-0.0865	-0.0009	0.7461	-0.1305	-0.1127	0.9209	-0.0807	0.8821	35.1167	53.3005	437.4487
47	0.7794	-0.8978	0.1513	2.3199	0.6267	2.1142	-0.1005	-0.2593	-0.201	0.7016	-0.2183	0.1178	0.8927	-0.3491	0.0017	0.9149	-0.1827	0.0954	0.8922	-0.0486	0.9607	26.5358	45.6382	438.6218
48	2.4383	0.9508	-1.1533	1.6103	-0.1227	3.2625	0.3024	0.3964	0.1475	-0.3605	-0.068	0.0347	-1.0776	-0.7953	0.0031	1.1539	-0.0702	-0.1423	0.9798	-0.0035	0.8842	32.9076	61.9976	427.7204
49	2.1569	-0.5941	1.2446	0.8421	0.1106	0.638	0.2879	-0.7176	-0.3289	0.538	-0.0589	-0.1568	-0.9056	0.0745	0.0186	1.1522	-0.2024	-0.0524	0.905	-0.138	0.8823	48.8907	66.8614	434.4262
50	1.2284	-0.3281	0.4749	1.0694	1.528	2.9487	0.4888	-0.4716	0.976	1.8178	-0.6456	-0.5762	-2.2335	-0.2537	-0.0074	1.9476	-0.4344	-0.0337	1.0377	-0.0782	1.2866	44.0597	77.224	434.7825
51	0.4947	0.5305	0.3449	0.4731	0.4033	0.3704	1.3994	-0.1537	1.1787	-1.7764	-0.6453	1.1274	-0.4772	1.2338	0.0168	1.1984	-0.0767	-0.0217	1.0716	0.1934	1.2596	40.913	74.2343	422.194
52	0.9408	0.7514	0.5065	0.7479	0.0482	0.1731	0.2886	0.0263	0.128	-1.0209	0.208	1.0356	-0.9066	0.0137	-0.0029	1.3793	0.141	-0.1257	1.0931	0.0537	0.8601	28.5336	67.8003	423.2489
53	0.5717	0.2946	-0.9747	0.7152	-0.0278	0.4298	-0.7364	2.0795	-0.92	-1.9907	-0.7321	0.1873	1.2545	0.3461	-0.0386	1.293	-0.808	-0.4172	1.9329	-0.3368	1.5187	18.6425	37.732	410.221
54	0.0119	0.0924	-0.0915	0.8543	-0.8309	1.1904	0.5494	0.5909	0.5429	-1.3868	-0.558	-0.3509	-0.8468	-1.9622	0.0097	1.326	-0.1517	-0.352	1.4287	0.0894	1.042	27.6735	54.9713	405.3337
55	1.7858	-0.7802	-1.8878	0.8901	0.5919	3.424	-0.1328	0.9442	-0.2246	-0.3299	0.3111	-0.2938	-0.3588	-0.145	0.0002	0.8856	-0.264	-0.1273	1.1744	0.011	0.7846	33.5774	49.2472	411.5436
56	-0.0147	-0.0449	-0.0871	-0.0082	-0.0416	0.2081	0.6693	0.7107	1.1037	-0.8881	-0.7033	0.7422	-0.424	-1.3879	0.0006	1.4382	0.0878	-0.3412	1.4452	0.2015	1.2267	22.5812	57.8924	417.3254
57	1.0514	-0.7127	0.614	0.7288	-0.1154	0.713	-0.4192	0.7034	-0.6687	-1.0272	-0.1537	0.8461	-0.4644	-0.8568	0.0004	1.1152	-0.1738	-0.1261	1.4304	-0.1209	1.1055	28.1552	45.2538	405.3437
58	0.9342	1.3701	0.4916	0.6468	0.249	4.7355	-0.3291	-0.0632	0.35	-0.0148	-0.0173	0.4258	0.3068	-0.6804	-0.003	0.781	-0.1347	-0.0439	0.912	-0.0801	0.9706	32.4009	45.4104	421.762
59	0.6254	0.813	-0.1209	0.6578	-0.1679	0.3653	-1.0038	1.4874	-1.2131	-2.3656	0.4967	0.0968	1.5601	-0.2467	-0.0155	1.4968	-0.1597	0.3258	1.0613	-0.0293	1.2373	47.5171	35.6263	408.399
60	1.1965	0.3911	-0.9254	1.9167	-0.556	1.2794	0.1151	1.0648	0.5036	-1.0577	-0.4219	-0.3252	-0.1864	1.1007	0.0003	1.2029	-0.2491	0.0757	1.2142	0.0765	0.9613	54.2856	50.7769	410.9332
61	0.5862	-0.0268	-0.7548	-0.0297	0.1571	0.6919	0.3775	0.5378	-1.0029	-1.5376	-0.1456	-0.8522	0.7088	0.8462	0.0421	1.4307	0.1186	0.1579	1.8064	0.0132	0.8462	55.9801	37.9719	410.4811
62	0.0527	1.0085	-0.3465	1.6515	-1.2443	1.1093	-0.0295	0.0272	-1.4826	-0.6133	-0.2659	-0.5628	0.9583	0.3714	0.0001	1.1509	-0.1665	0.0882	0.8977	0.0117	0.9411	45.2644	37.2128	424.7771
63	0.6905	0.4114	0.1465	0.5235	-0.2991	0.203	-0.1361	1.4209	-0.4967	-1.7924	1.0787	-0.4916	-2.933	0.6334	0.0008	2.3493	-0.5668	-0.1565	2.4299	-0.295	1.2048	54.8996	49.9187	388.328
64	1.5103	0.0051	-0.9649	0.3711	-0.4074	1.0842	0.173	-0.5912	0.4595	-0.7047	1.1832	-0.3336	-1.0498	1.9924	0	1.4239	-0.537	-0.0008	1.9655	-0.3525	1.1019	63.5779	61.0914	420.48
65	0.9253	-0.6244	0.9652	0.7603	-0.3418	1.0479	1.4666	-0.3326	0.1888	2.1129	0.1612	0.0094	0.9539	-0.1338	0.0024	2.3037	-0.5639	0.2203	2.4812	-0.0869	1.1132	55.03	70.5325	451.427
66	-0.007	0.0153	-0.0541	-0.0048	0.0004	0.0915	1.026	-0.5084	-0.4415	3.1326	-0.7582	-0.4965	0.0206	-0.4242	0.0092	3.02	-0.3359	0.2081	3.0317	0.143	1.1727	55.9581	67.8005	460.6174
67	2.5178	-2.0149	1.1221	2.0606	0.3166	1.3793	-0.6461	-2.009	0.1941	-0.5378	1.0928	-0.2049	1.612	1.4764	0.0016	1.8519	-0.665	0.2209	2.1801	-0.079	1.1473	59.176	69.2008	439.2291
68	1.1831	-0.5764	-0.8412	2.5782	-0.5318	0.5227	0.4598	0.0619	-0.0288	-0.5966	0.8129	-0.9563	-1.6541	1.9864	0.0014	1.5057	-0.5179	0.0609	1.9042	-0.2387	0.9962	62.3091	60.8914	414.1313
69	0.3974	0.5012	-0.2745	1.3518	-0.3109	0.117	-0.026	-1.191	-0.0546	-2.4077	-0.1827	-0.3001	-1.0988	-0.8228	-0.0176	2.4497	-0.2654	-0.3097	2.1353	-0.4186	1.2768	56.6084	47.3141	391.3124

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 2 through 21 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 22 through 36 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 37 through 51 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 52 through 64 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 65 through 109 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 110 through 135 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 136 through 237 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 2 through 15 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 16 through 56 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 57 through 70 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 71 through 90 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 91 through 109 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 110 through 136 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 137 through 153 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 154 through 170 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 171 through 182 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 183 through 210 )
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 211 through 237 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 1 through 7 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 8 through 16 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 17 through 29 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 2 through 14 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 15 through 29 )
24	X-RAY DIFFRACTION	24	chain 'G' and (resid 3 through 23 )
25	X-RAY DIFFRACTION	25	chain 'G' and (resid 24 through 51 )
26	X-RAY DIFFRACTION	26	chain 'G' and (resid 52 through 64 )
27	X-RAY DIFFRACTION	27	chain 'G' and (resid 65 through 109 )
28	X-RAY DIFFRACTION	28	chain 'G' and (resid 110 through 135 )
29	X-RAY DIFFRACTION	29	chain 'G' and (resid 136 through 153 )
30	X-RAY DIFFRACTION	30	chain 'G' and (resid 154 through 171 )
31	X-RAY DIFFRACTION	31	chain 'G' and (resid 172 through 193 )
32	X-RAY DIFFRACTION	32	chain 'G' and (resid 194 through 210 )
33	X-RAY DIFFRACTION	33	chain 'G' and (resid 211 through 237 )
34	X-RAY DIFFRACTION	34	chain 'H' and (resid 2 through 34 )
35	X-RAY DIFFRACTION	35	chain 'H' and (resid 35 through 93 )
36	X-RAY DIFFRACTION	36	chain 'H' and (resid 94 through 136 )
37	X-RAY DIFFRACTION	37	chain 'H' and (resid 137 through 195 )
38	X-RAY DIFFRACTION	38	chain 'H' and (resid 196 through 237 )
39	X-RAY DIFFRACTION	39	chain 'L' and (resid 2 through 6 )
40	X-RAY DIFFRACTION	40	chain 'L' and (resid 7 through 15 )
41	X-RAY DIFFRACTION	41	chain 'L' and (resid 16 through 20 )
42	X-RAY DIFFRACTION	42	chain 'L' and (resid 21 through 29 )
43	X-RAY DIFFRACTION	43	chain 'K' and (resid 1 through 10 )
44	X-RAY DIFFRACTION	44	chain 'K' and (resid 11 through 29 )
45	X-RAY DIFFRACTION	45	chain 'M' and (resid 3 through 36 )
46	X-RAY DIFFRACTION	46	chain 'M' and (resid 37 through 70 )
47	X-RAY DIFFRACTION	47	chain 'M' and (resid 71 through 109 )
48	X-RAY DIFFRACTION	48	chain 'M' and (resid 110 through 163 )
49	X-RAY DIFFRACTION	49	chain 'M' and (resid 164 through 195 )
50	X-RAY DIFFRACTION	50	chain 'M' and (resid 196 through 208 )
51	X-RAY DIFFRACTION	51	chain 'M' and (resid 209 through 218 )
52	X-RAY DIFFRACTION	52	chain 'M' and (resid 219 through 237 )
53	X-RAY DIFFRACTION	53	chain 'N' and (resid 2 through 23 )
54	X-RAY DIFFRACTION	54	chain 'N' and (resid 24 through 37 )
55	X-RAY DIFFRACTION	55	chain 'N' and (resid 38 through 70 )
56	X-RAY DIFFRACTION	56	chain 'N' and (resid 71 through 83 )
57	X-RAY DIFFRACTION	57	chain 'N' and (resid 84 through 98 )
58	X-RAY DIFFRACTION	58	chain 'N' and (resid 99 through 153 )
59	X-RAY DIFFRACTION	59	chain 'N' and (resid 154 through 170 )
60	X-RAY DIFFRACTION	60	chain 'N' and (resid 171 through 195 )
61	X-RAY DIFFRACTION	61	chain 'N' and (resid 196 through 210 )
62	X-RAY DIFFRACTION	62	chain 'N' and (resid 211 through 237 )
63	X-RAY DIFFRACTION	63	chain 'O' and (resid 1 through 8 )
64	X-RAY DIFFRACTION	64	chain 'O' and (resid 9 through 22 )
65	X-RAY DIFFRACTION	65	chain 'O' and (resid 23 through 29 )
66	X-RAY DIFFRACTION	66	chain 'P' and (resid 1 through 5 )
67	X-RAY DIFFRACTION	67	chain 'P' and (resid 6 through 12 )
68	X-RAY DIFFRACTION	68	chain 'P' and (resid 13 through 22 )
69	X-RAY DIFFRACTION	69	chain 'P' and (resid 23 through 29 )

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