PDB-5cw7: Crystal structure of the PaaA2-ParE2 antitoxin-toxin complex

ID or keywords:

Entry

Database: PDB / ID: 5cw7

Title

Crystal structure of the PaaA2-ParE2 antitoxin-toxin complex

Components

PAAA2
Plasmid stabilization protein ParE

Keywords

TOXIN / toxin-antitoxin

Function / homology

Function and homology information

molecular adaptor activity
Similarity search - Function

Biological species

Escherichia coli O157 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MAD / Resolution: 2.827 Å

Authors

Sterckx, Y.G.-J. / Loris, R.

Funding support

Belgium, 1items

Citation

Journal: J Mol Biol / Year: 2016
Title: A unique hetero-hexadecameric architecture displayed by the Escherichia coli O157 PaaA2-ParE2 antitoxin-toxin complex.
Authors: Yann G-J Sterckx / Thomas Jové / Alexander V Shkumatov / Abel Garcia-Pino / Lieselotte Geerts / Maia De Kerpel / Jurij Lah / Henri De Greve / Laurence Van Melderen / Remy Loris /

Abstract: Many bacterial pathogens modulate their metabolic activity, virulence and pathogenicity through so-called "toxin-antitoxin" (TA) modules. The genome of the human pathogen Escherichia coli O157 ...

History

Deposition	Jul 27, 2015	Deposition site: RCSB / Processing site: PDBE
Revision 1.0	Jun 1, 2016	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5cw7.cif.gz	516.1 KB	Display	PDBx/mmCIF format
PDB format	pdb5cw7.ent.gz	447.9 KB	Display	PDB format
PDBx/mmJSON format	5cw7.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/cw/5cw7 ftp://data.pdbj.org/pub/pdb/validation_reports/cw/5cw7	HTTPS FTP

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Related structure data

Related structure data	SASDAA9C SASDAB9C SASDC84C 5czeC 5czfC C: citing same article (ref.)
Similar structure data	1lm1-d 1a5z-1 5cze-1 2oyq-1 3puh-d 2cmh-2 2pnk-3 5b7i-d Search similar-shape structures by Omokage search (details) 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

Deposited unit

A: PAAA2

B: Plasmid stabilization protein ParE

C: PAAA2

D: Plasmid stabilization protein ParE

E: PAAA2

F: Plasmid stabilization protein ParE

G: PAAA2

H: Plasmid stabilization protein ParE

I: PAAA2

J: Plasmid stabilization protein ParE

K: PAAA2

L: Plasmid stabilization protein ParE

M: PAAA2

N: Plasmid stabilization protein ParE

O: PAAA2

P: Plasmid stabilization protein ParE

hetero molecules

164 kDa, 16 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	90.540, 90.540, 412.260
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	92
Space group name H-M	P4₁2₁2

Components on special symmetry positions

ID	Model	Components
1	1	C-119- HOH
2	1	C-132- HOH
3	1	C-133- HOH

#1: Protein	PAAA2 Mass: 8661.044 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli O157 (bacteria) / Gene: SS52_2228 / Plasmid: pET21b / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A0F6F6Q9, UniProt: Q8XAD5*PLUS
#2: Protein	Plasmid stabilization protein ParE / Plasmid stabilization system protein Mass: 11791.259 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli O157 (bacteria) / Gene: relE2 / Plasmid: pET21b / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A0D7C2L1, UniProt: A0A0H3JHG3*PLUS
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol Mass: 92.094 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 507 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.84 Å³/Da / Density % sol: 56.69 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.1 Details: 100 mM magnesium chloride, 100 mM MES pH 6.1, 8% PEG 6000

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 1 / Wavelength: 0.97911 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 24, 2013
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97911 Å / Relative weight: 1
Reflection	Resolution: 2.827→49.37 Å / Num. obs: 42331 / % possible obs: 99.82 % / Redundancy: 25.7 % / R_sym value: 0.142 / Net I/σ(I): 23.91
Reflection shell	Resolution: 2.827→2.928 Å / R_sym value: 0.85

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Phasing

Phasing	Method: MAD

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Processing

Software

Name	Version	Classification
PHENIX	(1.10.1_2155: ???)	refinement
SHELX		phasing
PDB_EXTRACT	3.15	data extraction
XDS		data reduction
XDS		data scaling

Refinement

Method to determine structure:

MAD / Resolution: 2.827→49.369 Å / SU ML: 0.3 / Cross valid method: FREE R-VALUE / σ(F): 1.37 / Phase error: 22.66 / Stereochemistry target values: MLHL

	R_factor	Num. reflection	% reflection
R_free	0.2399	2117	5 %
R_work	0.1849	-	-
obs	0.1877	42325	99.8 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.827→49.369 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9981	0	48	507	10536

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.016	10283
X-RAY DIFFRACTION	f_angle_d	1.252	14004
X-RAY DIFFRACTION	f_dihedral_angle_d	17.639	6300
X-RAY DIFFRACTION	f_chiral_restr	0.07	1557
X-RAY DIFFRACTION	f_plane_restr	0.009	1817

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 (%)
2.8272-2.893	0.3319	134	0.2522	2538	X-RAY DIFFRACTION	97
2.893-2.9653	0.2976	138	0.2432	2620	X-RAY DIFFRACTION	100
2.9653-3.0455	0.2968	139	0.2511	2646	X-RAY DIFFRACTION	100
3.0455-3.1351	0.3027	138	0.2338	2621	X-RAY DIFFRACTION	100
3.1351-3.2363	0.2761	139	0.2233	2641	X-RAY DIFFRACTION	100
3.2363-3.3519	0.2576	139	0.216	2654	X-RAY DIFFRACTION	100
3.3519-3.4861	0.2539	140	0.2052	2643	X-RAY DIFFRACTION	100
3.4861-3.6447	0.2741	139	0.1955	2647	X-RAY DIFFRACTION	100
3.6447-3.8368	0.2366	139	0.1834	2645	X-RAY DIFFRACTION	100
3.8368-4.0771	0.2299	142	0.1651	2690	X-RAY DIFFRACTION	100
4.0771-4.3917	0.2043	141	0.1482	2685	X-RAY DIFFRACTION	100
4.3917-4.8333	0.1721	142	0.1373	2695	X-RAY DIFFRACTION	100
4.8333-5.5319	0.2206	144	0.1574	2735	X-RAY DIFFRACTION	100
5.5319-6.9664	0.2504	147	0.1862	2796	X-RAY DIFFRACTION	100
6.9664-49.3763	0.2307	156	0.1926	2952	X-RAY DIFFRACTION	100

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	0.4248	0.1851	-0.2967	1.5343	-0.0315	0.596	-0.0597	0.4562	0.1721	0.368	0.4557	0.4012	0.1455	-1.0275	0.1024	0.3565	0.0209	-0.0145	0.5247	-0.0807	0.3626	71.5458	37.9769	70.8293
2	0.1122	0.1559	0.6601	0.3074	-0.389	-0.0152	-0.0798	0.4258	0.058	-0.0195	0.1186	-0.0564	0.4668	0.0142	0.0001	0.5003	0.0505	0.0053	0.6395	-0.0657	0.3299	61.1101	31.5301	59.2655
3	0.7464	0.2349	0.1064	0.4498	-0.4542	-0.0817	-0.4101	0.2769	-0.4883	0.055	0.0278	-0.4826	0.386	0.0736	-0.0072	0.656	0.0608	0.1012	0.5307	-0.0621	0.6416	49.5648	10.4035	66.4904
4	0.8479	1.0382	-0.9121	2.7495	0.2369	1.3654	0.3668	-0.0735	-0.8479	-0.3438	-0.1555	-0.0788	0.2201	0.4638	0.01	0.4991	0.0935	0.0531	0.581	-0.072	0.4693	53.2539	17.2883	66.9562
5	0.528	-0.1491	-0.3008	0.078	0.1776	0.1475	-0.5007	-0.6869	-0.1789	0.6935	0.4178	0.304	0.2212	-0.0869	0.0004	0.435	0.0505	-0.0012	0.5288	0.0041	0.4293	50.9907	18.4722	76.0895
6	1.3493	1.36	0.3444	1.524	-0.4087	0.5636	0.0823	0.1951	0.0161	-0.0485	0.1371	0.1572	0.1784	0.244	0.0007	0.4388	0.0253	-0.0051	0.4595	-0.0676	0.4063	49.6	30.3254	68.01
7	1.098	-1.3496	0.8368	2.8132	-3.0027	3.9461	0.0189	0.4218	-0.3668	0.0764	0.0458	-1.1621	-0.3439	0.0141	-0.5312	0.3384	0.16	0.0974	0.7389	-0.0861	0.5817	64.1816	23.187	63.1497
8	2.6371	-0.5061	0.758	0.7577	-1.3258	1.0663	-0.0555	0.4167	-0.3463	-0.0387	-0.0864	-0.1117	0.1474	0.3995	-0.009	0.4946	0.1235	-0.0827	0.5381	-0.0786	0.391	64.1005	28.5943	89.5336
9	2.2873	2.2319	1.6726	2.2627	0.8557	1.1063	0.639	0.0927	-0.379	0.2488	-0.4642	-0.4596	0.0669	0.1924	0.2975	0.3358	0.0859	-0.0438	0.4132	-0.0324	0.5697	58.6684	53.557	84.0942
10	0.5053	0.442	0.6855	3.2404	0.013	1.5998	0.1805	-0.068	-0.0032	0.146	-0.0377	-0.3873	0.0742	0.1321	0.0014	0.3258	0.1058	-0.0662	0.4143	-0.0876	0.3912	59.2927	43.8163	86.7072
11	0.4656	0.0945	0.435	0.1392	0.199	0.341	-0.1708	0.5439	0.101	-0.1498	0.198	-0.0509	0.1823	-0.0294	-0.0002	0.3837	0.0567	-0.0627	0.5361	0.0166	0.3901	54.5419	43.3804	78.5151
12	1.5017	-0.1944	-0.4534	0.7545	0.3485	1.2862	0.0094	0.0099	-0.2714	0.0824	0.0493	0.0956	0.0183	-0.0526	-0	0.3819	0.0934	-0.044	0.4088	-0.0529	0.3885	52.5824	31.9731	87.2401
13	2.0193	1.5295	-0.429	5.1563	-1.5008	0.4116	0.2197	0.6296	0.1407	-0.7858	-0.3677	-1.1273	0.1359	0.0585	-0.169	0.0797	0.0378	-0.1332	0.5164	-0.0452	0.4832	68.9896	35.3795	87.0423
14	1.2425	0.5709	-0.1008	1.3323	-1.6415	1.5544	-0.0503	0.1663	0.0678	-0.4212	0.374	0.0104	-0.6072	-0.095	0.0064	0.4255	0.0515	-0.0732	0.4565	0.0647	0.5025	25.5354	64.0773	62.6338
15	0.6183	-0.8203	-0.4779	1.6377	0.6781	0.3935	-0.1101	0.1234	0.8794	-0.0969	0.0978	-0.3078	0.0691	0.1047	0.0078	0.5949	0.0827	0.0188	0.57	0.0566	0.5084	45.5623	44.4485	56.3691
16	1.3879	-0.7524	-0.1353	0.6601	0.0234	1.7265	-0.1356	0.1936	0.0762	-0.2344	-0.0537	-0.101	0.1267	-0.0076	-0.0005	0.3127	0.0761	-0.0082	0.3813	0.0011	0.323	40.1632	49.6852	59.3558
17	0.343	-0.4073	0.5626	0.5446	-0.8313	0.2927	-0.2108	-0.1043	-0.0286	-0.2769	-0.0134	-0.1973	0.2531	0.2805	0.0006	0.3832	-0.0212	-0.0307	0.4213	-0.0369	0.3793	44.0831	49.5812	67.9887
18	1.1051	-0.6931	-0.1967	1.409	-0.0531	0.0775	-0.9774	0.3841	0.1798	2.4611	0.9924	0.15	1.1518	0.155	0.0357	0.7584	-0.0317	-0.0678	0.683	-0.0339	0.4424	30.2317	41.3257	76.0087
19	0.2678	-0.4674	0.1477	1.2395	-1.5215	1.9178	-0.1029	-0.0943	-0.1544	-0.0904	0.1447	0.2108	-0.1335	-0.4093	0.0024	0.3728	0.03	-0.0194	0.4036	0.0092	0.4226	29.5023	50.2528	66.7231
20	0.7006	0.179	0.3927	1.1758	-1.1695	1.3439	0.2355	-0.2706	-0.1076	0.2458	-0.2458	-0.4463	0.0218	-1.0834	0.0691	0.3137	-0.0441	-0.1089	0.3384	0.0581	0.3796	34.6898	60.335	55.0106
21	0.3738	-0.3254	-0.1459	0.3558	-0.0671	0.169	0.0756	-0.0849	-0.029	-0.5121	0.0192	-0.5327	-0.227	-0.252	0.0026	0.6157	-0.0229	-0.0154	0.4149	-0.0552	0.7136	45.1448	68.6033	65.1975
22	1.2131	-0.467	0.0898	1.7179	-0.488	0.7677	0.2472	-0.1257	0.2869	0.761	0.1517	-0.3568	-0.8533	-0.0035	0.0527	0.5796	0.0331	-0.1125	0.5116	-0.1102	0.5838	44.0233	66.6341	86.3953
23	1.1806	-0.9108	0.5165	1.3256	0.6738	0.504	-0.1712	-0.7178	0.6615	0.0236	0.9078	0.4865	0.217	-0.5712	0.3289	0.763	0.1876	0.2588	0.8721	0.2916	0.9369	20.1692	65.6957	91.2128
24	1.7148	-0.0987	-1.9349	1.3751	0.5425	1.9014	-0.2111	-0.0966	0.3586	0.1964	0.9527	0.6401	-0.4724	-0.9086	0.0585	0.5426	0.1096	0.0011	0.7074	0.1113	0.5914	30.0688	64.5909	87.7063
25	0.7682	0.6861	-0.1215	2.6446	-1.5983	0.7017	-0.1447	0.3144	-0.0819	-0.4629	0.4256	0.2899	0.2069	-0.2555	0.0032	0.4363	-0.0297	-0.0633	0.5905	0.0182	0.4752	33.2199	55.3532	82.3811
26	1.2377	0.2871	-0.7169	1.3682	-0.3426	-0.1076	-0.0949	-0.1673	0.3124	0.1385	-0.1256	-0.2897	-0.2424	0.0389	-0.003	0.4866	0.0068	-0.0536	0.4258	-0.0179	0.4483	37.9071	61.7328	83.2678
27	0.8272	-0.1609	0.231	0.0068	0.0197	0.0722	-0.2271	-0.5836	0.6656	0.8131	0.2823	-1.102	1.0573	-0.2784	0.0381	1.0227	0.2019	-0.1014	0.618	-0.0612	0.8792	40.966	-4.1321	92.5487
28	1.299	0.7821	-0.2259	0.8174	0.5588	0.2914	0.2969	0.1633	-0.7106	-0.1773	0.058	-0.0074	0.5992	0.5573	0.0166	0.7361	0.0888	0.031	0.4644	-0.1184	0.6995	34.7002	-1.9404	72.5591
29	0.1021	0.0652	-0.3011	-0.1729	-0.1978	-0.2604	-0.3511	-0.2767	-0.7667	0.1402	0.461	-0.5094	-0.2125	-0.1039	0.0067	0.6093	-0.03	-0.0425	0.4564	-0.0101	0.7938	11.1217	4.2839	74.4032
30	1.7345	-0.6263	-0.0366	0.4657	0.385	1.0726	0.0721	-0.1538	-0.2609	-0.3465	-0.1331	0.3555	0.6483	-0.0353	0.0001	0.6482	-0.0384	-0.0117	0.5279	-0.0534	0.6148	21.3675	3.3306	74.9051
31	0.1173	0.4181	-0.2899	0.1804	-0.1298	0.0445	0.1818	0.0946	0.5018	0.5393	0.0222	0.6372	-0.1224	-0.1755	0.0102	0.6284	-0.0412	0.0493	0.4563	-0.0525	0.4652	19.8257	10.3008	81.1123
32	1.5589	0.8903	0.2227	1.0567	0.6924	2.5846	-0.2521	-0.0253	-0.3354	0.2131	0.0152	-0.2293	0.3261	0.1208	-0.0003	0.5667	0.0703	-0.0256	0.3803	-0.0501	0.5545	33.2813	9.8079	75.9111
33	3.0534	-0.1338	-2.3364	1.9703	-0.4546	2.0429	-0.6534	-1.0167	-1.6909	-0.0071	-0.2222	0.0277	0.1964	1.1079	-1.926	0.655	0.0758	0.0205	0.0406	-0.1667	0.9039	28.9071	-5.6507	79.3439
34	0.2172	0.0125	0.2835	0.2965	0.085	0.4168	-0.1302	-1.0818	-1.3153	0.1683	-0.2817	-0.4187	1.6628	-0.4885	-0.0039	1.0899	-0.2332	0.1286	0.7671	0.1814	0.8848	22.5468	-3.495	93.6899
35	0.8949	-0.6115	-0.0339	0.5694	-0.8261	1.138	0.0081	-0.3301	-0.2647	0.3008	0.2458	0.1704	0.2472	-0.1885	0.007	0.6264	0.0545	0.14	0.5893	0.1007	0.4982	28.5159	13.9968	104.458
36	0.2645	0.1098	-0.319	0.1599	-0.584	-0.044	-0.4832	-0.2585	-0.5188	-0.9772	0.4461	-0.0974	0.1667	-0.3742	-0.0045	0.6805	0.0938	-0.0039	0.5206	0.066	0.6027	51.9983	16.2045	98.4643
37	0.9834	0.2807	0.2518	0.2171	0.3065	0.1924	-0.6576	0.2116	0.376	-0.2798	0.2127	-0.1727	0.1867	-0.5641	-0.1199	0.5213	-0.0137	-0.0067	0.5134	-0.0941	0.4023	36.658	27.8051	93.8924
38	1.3407	-0.256	-0.0568	0.6674	-0.0794	0.6218	-0.1129	-0.1882	-0.3132	0.3983	-0.0074	-0.0447	0.3646	0.0892	-0.0005	0.7777	0.1319	0.0316	0.5024	0.0144	0.5001	43.4075	12.3591	95.1413
39	2.1869	0.0675	1.0062	1.5519	-0.015	2.5334	0.069	-0.2534	-0.0659	0.1462	-0.0227	0.1541	0.2822	-0.3713	0.0001	0.5034	-0.0133	0.0664	0.4973	0.0113	0.5064	29.6068	18.2186	93.1199
40	4.5421	-2.2487	-1.5391	3.8263	0.9697	2.991	0.0097	0.6775	-0.3223	-0.3811	-0.3512	0.0799	-0.0876	-0.0896	-0.6824	0.8087	0.003	0.1514	0.5747	0.2392	0.55	34.3015	5.8741	103.1998
41	0.1295	0.3225	-0.2036	0.2199	-0.1936	0.2511	0.082	-1.167	-0.1348	0.4269	-0.2098	0.4264	0.888	0.0454	-0.0072	0.7953	-0.2545	0.1672	0.771	-0.16	0.7383	-7.066	22.0427	84.0956
42	0.938	-1.1453	0.5132	1.7052	0.9351	1.4583	-0.0202	0.1716	-0.0033	-0.087	-0.0342	0.7343	0.4912	-0.5191	-0.0086	0.4551	-0.1043	0.0108	0.4321	-0.1167	0.5741	0.1624	16.9192	65.2558
43	0.2409	-0.3659	0.3952	0.7207	-0.5901	0.3394	0.8721	-0.5157	0.2617	-0.3587	-0.1946	0.0884	0.1186	-0.2867	0.0262	0.5505	-0.0815	0.0366	0.5943	0.078	0.6025	5.1267	37.2655	53.9351
44	0.7663	0.2479	0.6279	1.3843	-0.4605	2.2592	0.2314	0.8351	-0.0211	-0.0113	-0.3047	0.225	-0.0102	-0.0607	0.0028	0.4452	-0.0569	-0.0001	0.4556	-0.0696	0.4473	3.5114	30.2051	60.0434
45	0.5256	-0.2465	0.1585	0.4021	0.2654	0.2287	-0.1879	-0.3506	1.32	0.0807	0.1606	-0.8251	-0.2609	0.0032	-0.0028	0.4741	-0.0865	0.0265	0.4178	-0.1203	0.6068	8.2108	36.4845	65.3648
46	1.6102	-0.0851	0.1534	1.5244	-0.1735	1.1324	-0.0302	-0.3565	-0.1743	0.1253	-0.0034	-0.0917	0.2761	-0.03	0.0005	0.4752	-0.0828	0.0233	0.4761	-0.0407	0.4442	11.0456	22.5243	70.4795
47	0.2714	0.036	0.3782	1.1663	-1.0144	0.8608	0.0733	0.5586	-0.0922	-0.2518	-0.2394	0.3975	0.1153	-0.4157	-0.0016	0.4526	-0.0729	-0.0414	0.5763	-0.0828	0.5001	0.0718	24.0481	65.3219
48	0.2747	-0.1959	0.0739	1.2958	-0.1618	6.1009	-0.0159	0.2054	0.8556	0.1051	-0.0497	-0.1776	1.1274	-0.1233	-0.0726	0.4093	-0.0004	-0.0645	0.5638	-0.0464	0.7162	-8.7057	39.3272	74.3117
49	2.1177	-0.9372	0.1915	0.2136	-0.9817	0.5137	-0.2082	-0.5387	-0.0768	0.1191	0.2019	0.2123	0.0889	-0.2359	0.0012	0.5333	0.0972	0.0343	0.6477	-0.0753	0.554	8.2921	33.494	93.6883
50	0.2099	0.2048	0.8205	1.6947	-0.19	1.7032	-0.0999	-0.9117	-0.1805	0.0904	-0.0482	0.2382	0.0112	-0.1259	-0.0008	0.4577	0.0206	0.0768	0.5773	0.0196	0.4486	9.4378	29.4829	93.171
51	3.0749	0.9131	-0.195	0.6489	0.4377	0.7946	-0.0746	0.0779	-0.1219	0.0106	0.0156	0.0167	0.0165	-0.19	-0.0006	0.518	0.0232	0.0102	0.5119	-0.0363	0.4318	13.1524	30.6071	82.7719
52	0.9952	-1.1789	-0.6863	1.4091	-0.2834	1.2303	-0.0362	-0.1367	0.1086	0.0358	-0.0137	-0.1458	-0.221	-0.3261	0	0.4048	0.0238	0.0106	0.4856	-0.0547	0.4432	11.8296	35.6232	84.5264
53	3.0042	0.7017	-0.5677	5.7194	-1.69	1.3042	0.2476	-0.3998	0.3169	-0.6699	0.8461	2.1248	-0.2549	0.0424	1.9547	0.2473	0.1044	0.3676	0.6324	-0.1671	0.2087	1.0625	34.7846	91.9901

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 14 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 15 through 34 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 35 through 60 )
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 1 through 25 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 26 through 44 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 45 through 86 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 87 through 95 )
8	X-RAY DIFFRACTION	8	chain 'C' and (resid 4 through 41 )
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 42 through 60 )
10	X-RAY DIFFRACTION	10	chain 'D' and (resid 1 through 25 )
11	X-RAY DIFFRACTION	11	chain 'D' and (resid 26 through 44 )
12	X-RAY DIFFRACTION	12	chain 'D' and (resid 45 through 86 )
13	X-RAY DIFFRACTION	13	chain 'D' and (resid 87 through 95 )
14	X-RAY DIFFRACTION	14	chain 'E' and (resid 2 through 34 )
15	X-RAY DIFFRACTION	15	chain 'E' and (resid 35 through 60 )
16	X-RAY DIFFRACTION	16	chain 'F' and (resid 1 through 25 )
17	X-RAY DIFFRACTION	17	chain 'F' and (resid 26 through 44 )
18	X-RAY DIFFRACTION	18	chain 'F' and (resid 45 through 49 )
19	X-RAY DIFFRACTION	19	chain 'F' and (resid 50 through 86 )
20	X-RAY DIFFRACTION	20	chain 'F' and (resid 87 through 96 )
21	X-RAY DIFFRACTION	21	chain 'G' and (resid 2 through 14 )
22	X-RAY DIFFRACTION	22	chain 'G' and (resid 15 through 41 )
23	X-RAY DIFFRACTION	23	chain 'G' and (resid 42 through 62 )
24	X-RAY DIFFRACTION	24	chain 'H' and (resid 1 through 25 )
25	X-RAY DIFFRACTION	25	chain 'H' and (resid 26 through 59 )
26	X-RAY DIFFRACTION	26	chain 'H' and (resid 60 through 95 )
27	X-RAY DIFFRACTION	27	chain 'I' and (resid 2 through 14 )
28	X-RAY DIFFRACTION	28	chain 'I' and (resid 15 through 41 )
29	X-RAY DIFFRACTION	29	chain 'I' and (resid 42 through 60 )
30	X-RAY DIFFRACTION	30	chain 'J' and (resid 1 through 25 )
31	X-RAY DIFFRACTION	31	chain 'J' and (resid 26 through 44 )
32	X-RAY DIFFRACTION	32	chain 'J' and (resid 45 through 86 )
33	X-RAY DIFFRACTION	33	chain 'J' and (resid 87 through 95 )
34	X-RAY DIFFRACTION	34	chain 'K' and (resid 2 through 14 )
35	X-RAY DIFFRACTION	35	chain 'K' and (resid 15 through 41 )
36	X-RAY DIFFRACTION	36	chain 'K' and (resid 42 through 62 )
37	X-RAY DIFFRACTION	37	chain 'L' and (resid 1 through 7 )
38	X-RAY DIFFRACTION	38	chain 'L' and (resid 8 through 44 )
39	X-RAY DIFFRACTION	39	chain 'L' and (resid 45 through 86 )
40	X-RAY DIFFRACTION	40	chain 'L' and (resid 87 through 95 )
41	X-RAY DIFFRACTION	41	chain 'M' and (resid 2 through 14 )
42	X-RAY DIFFRACTION	42	chain 'M' and (resid 15 through 41 )
43	X-RAY DIFFRACTION	43	chain 'M' and (resid 42 through 58 )
44	X-RAY DIFFRACTION	44	chain 'N' and (resid 1 through 25 )
45	X-RAY DIFFRACTION	45	chain 'N' and (resid 26 through 44 )
46	X-RAY DIFFRACTION	46	chain 'N' and (resid 45 through 77 )
47	X-RAY DIFFRACTION	47	chain 'N' and (resid 78 through 95 )
48	X-RAY DIFFRACTION	48	chain 'O' and (resid 1 through 14 )
49	X-RAY DIFFRACTION	49	chain 'O' and (resid 15 through 60 )
50	X-RAY DIFFRACTION	50	chain 'P' and (resid 1 through 25 )
51	X-RAY DIFFRACTION	51	chain 'P' and (resid 26 through 59 )
52	X-RAY DIFFRACTION	52	chain 'P' and (resid 60 through 86 )
53	X-RAY DIFFRACTION	53	chain 'P' and (resid 87 through 100 )

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