PDB-9lew: The crystal structure of DinJ-YafQ complex from Vibrio cholerae

ID or keywords:

Entry

Database: PDB / ID: 9lew

Title

The crystal structure of DinJ-YafQ complex from Vibrio cholerae

Components

DNA-damage-inducible protein J
Type II toxin-antitoxin system YafQ family toxin

Keywords

TOXIN / Toxin-antitoxin complex / DNA binding protein / Antitoxin

Function / homology

Function and homology information

single-species biofilm formation / mRNA catabolic process / toxic substance binding / translational termination / cis-regulatory region sequence-specific DNA binding / RNA endonuclease activity / DNA-templated transcription / regulation of DNA-templated transcription
Similarity search - Function

Biological species

Vibrio cholerae serotype O1 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.3 Å

Authors

Mun, S.A. / Ha, J.H. / Jang, T.H. / Hong, E. / Bae, J. / Son, J.

Funding support

Korea, Republic Of, 1items

Citation

Journal: Int.J.Biol.Macromol. / Year: 2025
Title: Novel oligomerization state of DinJ-YafQ complex from Vibrio cholerae-Structural and biochemical insights.
Authors: Mun, S.A. / Yeon, G.B. / Park, Y.H. / Yoon, H. / Ha, J.H. / Jang, T.H. / Hong, E. / Bae, J. / Son, J.

History

Deposition	Jan 7, 2025	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Jul 30, 2025	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9lew.cif.gz	301.8 KB	Display	PDBx/mmCIF format
PDB format	pdb9lew.ent.gz	248.7 KB	Display	PDB format
PDBx/mmJSON format	9lew.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9lew_validation.pdf.gz	2.8 MB	Display	wwPDB validaton report
Full document	9lew_full_validation.pdf.gz	2.8 MB	Display
Data in XML	9lew_validation.xml.gz	33.3 KB	Display
Data in CIF	9lew_validation.cif.gz	43.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/le/9lew ftp://data.pdbj.org/pub/pdb/validation_reports/le/9lew	HTTPS FTP

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Related structure data

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

Deposited unit

A: DNA-damage-inducible protein J

B: Type II toxin-antitoxin system YafQ family toxin

C: DNA-damage-inducible protein J

D: Type II toxin-antitoxin system YafQ family toxin

E: DNA-damage-inducible protein J

F: Type II toxin-antitoxin system YafQ family toxin

G: DNA-damage-inducible protein J

H: Type II toxin-antitoxin system YafQ family toxin

hetero molecules

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

1

A: DNA-damage-inducible protein J

B: Type II toxin-antitoxin system YafQ family toxin

C: DNA-damage-inducible protein J

D: Type II toxin-antitoxin system YafQ family toxin

E: DNA-damage-inducible protein J

F: Type II toxin-antitoxin system YafQ family toxin

G: DNA-damage-inducible protein J

H: Type II toxin-antitoxin system YafQ family toxin

hetero molecules

A: DNA-damage-inducible protein J

B: Type II toxin-antitoxin system YafQ family toxin

C: DNA-damage-inducible protein J

D: Type II toxin-antitoxin system YafQ family toxin

E: DNA-damage-inducible protein J

F: Type II toxin-antitoxin system YafQ family toxin

G: DNA-damage-inducible protein J

H: Type II toxin-antitoxin system YafQ family toxin

hetero molecules

defined by author&software
Evidence: light scattering, MALS, AUC
175 kDa, 16 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	163.924, 163.924, 114.035
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	180
Space group name H-M	P6₂22

#1: Protein	DNA-damage-inducible protein J Mass: 10246.710 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961) (bacteria) Gene: VC_A0324 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9KML3
#2: Protein	Type II toxin-antitoxin system YafQ family toxin Mass: 11531.494 Da / Num. of mol.: 4 / Mutation: H94Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961) (bacteria) Gene: VC_A0323 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9KML4
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO₄
#4: Chemical	ChemComp-ACT / ACETATE ION Mass: 59.044 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₂H₃O₂ / Feature type: SUBJECT OF INVESTIGATION
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 180 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	Y
Has protein modification	N

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.55 Å³/Da / Density % sol: 51.77 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 0.1 M Sodium acetate trihydrate (pH 4.5), 2.0 M Ammonium sulfate

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site: PAL/PLS

/ Beamline: 5C (4A) / Wavelength: 1.00003 Å

Detector

Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Dec 20, 2024

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 1.00003 Å / Relative weight: 1

Reflection

Resolution: 2.3→50 Å / Num. obs: 40246 / % possible obs: 99.1 % / Redundancy: 11.2 % / CC_1/2: 1 / CC star: 1 / R_merge(I) obs: 0.085 / R_pim(I) all: 0.024 / R_rim(I) all: 0.089 / Χ²: 0.657 / Net I/σ(I): 6.1 / Num. measured all: 451650

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique obs	CC_1/2	CC star	R_pim(I) all	R_rim(I) all	Χ²	% possible all
2.3-2.34	8.6	0.4	1958	0.799	0.942	0.131	0.422	0.294	99
2.34-2.38	9.1	0.378	1988	0.841	0.956	0.121	0.398	0.303	98.9
2.38-2.43	9.2	0.346	1975	0.873	0.965	0.109	0.364	0.319	99.4
2.43-2.48	9.5	0.328	1965	0.91	0.976	0.103	0.345	0.329	98.8
2.48-2.53	9.6	0.307	1991	0.918	0.978	0.095	0.322	0.341	99.2
2.53-2.59	9.7	0.292	1960	0.937	0.984	0.09	0.306	0.355	98.5
2.59-2.66	9.6	0.275	1976	0.951	0.987	0.086	0.289	0.379	99
2.66-2.73	9.8	0.241	1998	0.967	0.992	0.074	0.253	0.401	99.5
2.73-2.81	9.2	0.211	1981	0.975	0.994	0.068	0.222	0.434	99.1
2.81-2.9	10	0.186	2004	0.984	0.996	0.057	0.195	0.488	99.6
2.9-3	11.6	0.163	2000	0.988	0.997	0.047	0.17	0.509	99.6
3-3.12	12.5	0.139	2013	0.992	0.998	0.038	0.144	0.588	99.4
3.12-3.26	12.8	0.121	2004	0.996	0.999	0.033	0.125	0.694	99.7
3.26-3.44	13.1	0.097	2018	0.997	0.999	0.026	0.101	0.783	99.3
3.44-3.65	13	0.083	2025	0.997	0.999	0.023	0.086	0.882	99.4
3.65-3.93	13.2	0.076	2023	0.998	0.999	0.021	0.079	1.085	99.4
3.93-4.33	13.5	0.06	2041	0.998	0.999	0.016	0.062	1.003	99.5
4.33-4.95	13.1	0.053	2057	0.998	1	0.015	0.055	0.96	99
4.95-6.24	12.2	0.052	2089	0.999	1	0.015	0.054	0.894	99.2
6.24-50	14.4	0.044	2180	0.999	1	0.011	0.046	1.04	96.8

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Processing

Software

Name	Version	Classification
PHENIX	(1.20.1_4487: ???)	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.3→36.41 Å / SU ML: 0.26 / Cross valid method: FREE R-VALUE / σ(F): 1.46 / Phase error: 20.71 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2312	1999	4.97 %
R_work	0.2005	-	-
obs	0.202	40211	99.09 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.3→36.41 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5631	0	37	180	5848

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.009	5768
X-RAY DIFFRACTION	f_angle_d	1.097	7755
X-RAY DIFFRACTION	f_dihedral_angle_d	5.964	745
X-RAY DIFFRACTION	f_chiral_restr	0.061	881
X-RAY DIFFRACTION	f_plane_restr	0.018	997

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 (%)
2.3-2.36	0.2889	139	0.2641	2650	X-RAY DIFFRACTION	98
2.36-2.42	0.2521	141	0.2398	2688	X-RAY DIFFRACTION	99
2.42-2.49	0.257	140	0.2347	2691	X-RAY DIFFRACTION	99
2.49-2.57	0.2564	139	0.2177	2659	X-RAY DIFFRACTION	99
2.57-2.66	0.2396	142	0.2254	2708	X-RAY DIFFRACTION	99
2.66-2.77	0.2576	141	0.2233	2697	X-RAY DIFFRACTION	99
2.77-2.9	0.2735	142	0.2357	2715	X-RAY DIFFRACTION	99
2.9-3.05	0.282	142	0.2306	2713	X-RAY DIFFRACTION	100
3.05-3.24	0.2916	142	0.2199	2712	X-RAY DIFFRACTION	100
3.24-3.49	0.2417	144	0.2108	2747	X-RAY DIFFRACTION	99
3.49-3.84	0.2255	143	0.1912	2751	X-RAY DIFFRACTION	99
3.84-4.4	0.1971	146	0.1625	2766	X-RAY DIFFRACTION	99
4.4-5.53	0.1839	146	0.1634	2798	X-RAY DIFFRACTION	99
5.54-36.41	0.2035	152	0.1885	2917	X-RAY DIFFRACTION	98

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	5.5607	3.1811	0.5046	7.5967	0.8244	5.4744	-0.0894	0.984	-0.5182	-0.6302	0.2665	-0.2701	0.2909	-0.0078	-0.1669	0.2975	-0.0022	-0.0134	0.397	-0.0566	0.2246	-74.1289	-6.2168	-43.6292
2	5.4935	-1.4105	3.8314	2.5761	-4.3806	7.245	0.3277	0.7223	-0.7493	-0.3003	-0.6561	-0.1372	0.9301	1.4687	0.2798	0.6171	0.1053	0.086	0.5261	-0.0217	0.3274	-63.5907	-6.6415	-29.868
3	6.7966	2.1368	0.1511	8.9189	2.6941	7.7658	0.096	0.6855	-0.3887	-0.2771	0.0935	-1.33	0.0488	1.1559	-0.1297	0.2958	0.0716	0.0094	0.7267	0.0419	0.5773	-38.3082	-13.7802	-15.3882
4	9.3937	3.5153	-4.0668	2.0421	-6.5062	5.7016	-0.1016	0.3513	-0.9718	-0.3694	0.0083	-1.413	0.1875	-0.0543	0.1373	0.5533	-0.0156	0.0756	0.3729	-0.0518	0.6718	-40.2032	-20.3817	-8.5716
5	7.3126	0.4353	2.2084	9.7036	5.5009	8.812	-0.1207	0.9509	0.4656	-0.4939	-0.2264	-1.7326	-0.9813	0.7092	0.2886	0.3497	-0.0925	-0.0468	0.6153	0.2381	0.5769	-40.0267	-4.2283	-16.0636
6	8.3394	8.1852	3.8691	2.0461	2.6632	9.9215	0.2936	0.1751	0.2063	1.228	-0.244	-0.5631	0.0542	0.7553	-0.1023	0.3028	0.0462	-0.0495	0.3835	-0.0511	0.3629	-44.4678	-7.8423	-3.9607
7	2.0254	-8.2825	4.4255	7.2725	-5.542	5.1713	-0.1159	-2.01	0.2697	1.4387	0.5115	0.1571	1.2634	-0.076	-0.2955	0.8237	0.0354	-0.0119	0.526	0.097	0.448	-53.2426	-12.8525	-1.1921
8	9.5815	0.2683	0.6431	6.0267	5.6334	5.2251	-0.136	0.5339	-0.0558	-0.9498	-0.0285	0.2257	-0.1698	0.2242	0.1977	0.4136	0.0434	-0.0239	0.2208	0.047	0.2068	-55.1913	-12.7365	-14.3781
9	7.9413	-1.6009	-0.64	7.715	-0.968	2.571	0.1197	0.4024	-0.5224	-0.6001	-0.0077	-0.516	0.4873	0.4385	-0.1482	0.3541	0.0707	-0.0414	0.3576	-0.0639	0.2635	-46.8249	-17.1529	-13.3353
10	2.2164	-0.4168	1.0058	2.0357	6.6329	4.951	-0.6586	2.13	1.6134	-1.2448	-0.4144	-0.6511	-1.0262	1.6845	1.3941	0.5432	0.0924	-0.0608	0.8423	0.3308	0.6258	-52.5031	-5.6048	-20.6461
11	4.996	5.3736	-0.6387	2.0275	-2.2709	3.3182	-0.3187	1.1168	-0.641	-2.9913	-0.0903	-0.1346	0.6627	-0.2335	0.2816	0.7628	-0.0478	0.0258	0.8566	-0.1721	0.3552	-69.5323	-5.209	-49.7873
12	4.5462	0.2435	0.5253	4.005	-1.6073	3.5785	0.1812	0.3697	-0.044	-0.0342	0.0361	-0.2186	-0.4222	0.433	-0.2775	0.2934	-0.0366	0.0533	0.3956	-0.0101	0.2653	-61.8844	3.4703	-40.1526
13	7.1442	5.5824	-2.6263	7.2818	-2.1705	2.83	0.2502	0.0631	-0.6534	0.2476	-0.0196	-0.3248	-0.1003	0.2811	-0.1875	0.3129	0.0321	-0.0747	0.2981	-0.0577	0.2932	-70.6333	-9.1642	-36.6155
14	6.9975	8.0253	1.0439	8.5384	1.4439	1.2442	0.7251	-0.5515	0.7298	1.5296	-0.7089	0.8586	-0.0213	-0.0521	-0.0341	0.3107	-0.0586	0.0324	0.3009	-0.0443	0.2709	-77.0185	4.991	-32.2194
15	9.1855	-4.8652	-3.0778	2.0069	5.9539	7.1005	-0.2758	-0.8236	0.7352	1.2637	0.4404	0.8544	0.5747	0.2463	-0.1805	0.6237	-0.094	0.2276	0.3152	-0.0786	0.5115	-70.7085	23.8924	-24.7162
16	1.5785	-0.9158	-0.4664	1.6377	1.918	2.5777	0.5825	0.2892	1.1108	0.0549	-0.1836	-0.2022	-0.7133	0.3994	-0.2111	0.25	-0.91	0.6947	-0.4937	0.1859	1.2397	-64.624	34.9572	-27.7285
17	2.0138	2.4378	3.7527	2.0165	-1.9082	4.1713	0.7062	-0.2023	2.1118	1.1162	0.4431	0.0806	-1.5207	0.8294	-0.9094	0.8044	-0.2285	0.364	0.5428	-0.121	0.9512	-54.0455	32.0524	-34.28
18	2.0441	-1.0011	6.7951	2.0291	1.2917	8.9693	0.6707	0.7258	2.1951	-0.2025	-0.4104	-0.4613	-2.0451	-0.0423	-0.2668	0.6297	0.0727	0.3521	0.6989	0.0644	1.1961	-48.2612	29.3059	-36.1604
19	1.783	-0.8337	1.7909	4.3067	-2.5916	3.9891	-0.0273	0.6276	1.2373	-0.0361	0.0819	-0.1016	-1.0113	-0.2625	0.0031	0.829	-0.0124	0.3392	0.3584	0.2917	1.0673	-65.3065	35.3235	-35.1163
20	4.3895	-3.6753	-4.3438	4.084	2.5626	5.2486	0.1248	-0.4569	0.4249	0.392	0.1486	0.1671	-0.3816	0.6227	-0.2685	0.3792	-0.1189	0.0214	0.3426	-0.0084	0.5943	-55.8177	21.6476	-30.1222
21	8.0809	-6.2393	0.538	6.9781	-2.0776	3.2348	0.5051	0.9769	1.925	-0.4958	-0.1448	-0.6212	0.3125	-0.3239	-0.2657	0.4385	-0.0487	0.1279	0.3333	0.1759	0.7018	-57.8086	26.3163	-42.6547
22	1.0478	-0.5558	2.241	6.6879	-1.4712	4.4191	0.091	1.3858	0.8089	-3.0007	0.7308	0.315	-0.2214	0.3986	-0.595	0.7839	-0.174	0.1772	0.5742	0.3419	0.7461	-66.5747	25.5968	-48.7606
23	0.7552	-0.5312	-0.3168	7.6686	6.2803	5.1182	-0.856	-0.2741	-0.5604	1.0819	-0.1916	1.6482	1.047	-0.1008	1.1125	0.447	0.0117	0.1687	0.498	0.2568	0.9736	-76.0715	20.7818	-36.1181
24	3.5027	-1.8307	1.9833	5.5138	-0.4847	4.6005	0.095	0.0087	1.0362	-0.0313	0.4592	0.5846	-0.6116	-0.3782	-0.4843	0.4004	-0.0044	0.2277	0.3158	0.1512	0.6391	-67.478	24.3724	-36.7657
25	7.345	-0.9245	-2.4532	7.5461	2.4667	6.3537	-0.2431	-0.5895	-1.4062	0.9677	-0.0135	-0.2409	-0.1057	-0.2191	0.2733	0.3958	-0.0459	0.0481	0.2471	0.0846	0.3133	-65.443	12.7638	-32.1001
26	8.8317	-2.6136	1.5423	6.7113	-1.4052	5.8556	-0.0035	-0.3907	0.3685	1.0539	-0.0029	-0.4038	-0.1901	0.4822	-0.0085	0.5485	-0.0229	-0.0116	0.2807	-0.0755	0.2211	-71.9355	6.1643	-8.8811
27	6.6536	-3.7688	-0.3395	2.6941	0.6284	3.5061	0.1744	0.2087	0.2598	-0.3439	-0.1766	0.0277	-0.4461	0.6182	0.0123	0.3998	-0.0545	-0.0495	0.2071	0.0208	0.2163	-69.6779	-1.9927	-19.0644
28	6.0793	-0.0085	-1.4646	8.2807	-0.1941	6.0839	0.2848	-0.6016	-0.0718	0.299	-0.351	-1.0166	-0.1208	1.3497	0.0087	0.3312	-0.0605	-0.0888	0.6262	0.1226	0.3802	-36.3024	2.0638	-38.3776
29	2.0734	0.8775	-3.1017	2.091	-7.2743	9.1803	0.4952	0.3125	-0.0249	0.0661	-0.9925	-1.2609	-0.4526	2.5189	0.3322	0.5816	-0.0349	0.0052	0.7268	-0.0519	0.4905	-35.8727	9.2354	-44.6709
30	2.1607	0.0791	0.8875	5.3157	7.538	2.0967	-0.1035	-0.3536	-0.9023	0.7798	0.4329	-0.7503	1.3031	1.2034	-0.2297	0.4714	0.006	-0.031	0.4974	0.1187	0.5185	-40.326	-6.8343	-39.3629
31	6.5548	-0.1414	0.8124	9.173	-1.294	2.222	-0.002	0.2644	-0.1822	-0.1536	0.0123	0.2787	-0.0267	-0.0462	-0.0486	0.2581	-0.0101	0.0044	0.3538	-0.0305	0.1843	-48.9481	3.7609	-46.5087
32	7.8156	3.9487	-2.9863	8.568	-4.7932	7.5067	0.2861	-0.3234	0.0782	0.661	-0.2728	-0.3527	-0.3952	0.7632	-0.0436	0.2709	0.0465	-0.0138	0.3693	-0.0904	0.2266	-45.4479	4.8644	-39.2641
33	6.7044	-1.5755	2.6185	7.3105	5.9873	7.0989	-0.1253	-0.0061	1.1032	1.1396	0.0222	0.3003	-1.1726	-0.0442	-0.0302	0.9622	0.0156	-0.0491	0.4446	0.0574	0.3967	-67.024	5.5626	-5.8539
34	8.167	-4.9751	3.1486	6.0787	-5.4831	6.5642	0.2598	0.2838	0.2758	-0.0056	-0.4829	-0.4566	-0.1235	0.594	0.2424	0.3149	-0.0149	-0.0164	0.2046	-0.0055	0.1736	-66.0518	-1.678	-16.542
35	2.1533	-1.1621	0.7152	7.7662	-0.6891	1.4518	0.1902	0.2487	-0.2726	-1.1241	0.0422	-0.0286	0.0001	-0.0671	-0.2564	0.341	0.0822	-0.0137	0.2319	-0.0363	0.2756	-78.4937	-6.0971	-22.6762
36	0.3373	-0.466	0.6529	1.86	-0.454	1.2685	0.5097	1.9713	-1.287	-2.1148	0.0237	-0.6474	1.2233	0.479	-0.5329	0.8759	0.2066	-0.4263	-0.1675	-0.5321	1.0496	-75.8695	-31.6806	-28.4015
37	4.2936	-2.0077	-2.2816	4.7309	-0.6519	5.1383	-0.0115	0.4516	-0.3945	-1.3452	-0.1558	-0.331	0.8112	0.526	0.1696	0.7631	0.3772	-0.4494	0.1973	-0.2596	1.3957	-63.2022	-38.1308	-20.0709
38	5.4109	0.5952	-4.3533	8.6937	6.1235	8.5247	-0.6958	0.2804	-1.6428	-0.898	-0.7592	0.7549	1.7328	0.0662	0.9443	0.8019	0.1579	-0.1944	0.3968	-0.3746	1.2242	-55.8522	-35.3491	-21.1131
39	8.0454	4.8568	-7.1575	4.5208	-4.1791	8.2337	-0.1763	0.8557	-1.8298	-0.3382	0.6244	0.83	1.3685	-0.7286	-0.1878	0.6599	-0.0219	-0.2912	0.4226	0.1333	1.2325	-75.1939	-38.2531	-19.0103
40	5.0584	2.0896	2.8624	0.8589	1.1834	2.2377	0.1598	0.5341	-0.6478	-0.6248	0.046	0.2542	0.1795	0.4517	-0.1683	0.5506	0.1275	-0.1639	0.3315	-0.1575	0.6003	-62.3574	-27.7415	-24.2771
41	4.8478	0.991	-0.338	3.2838	-0.5743	2.7571	0.5443	-1.1768	-2.029	0.6287	0.3006	-0.075	0.0062	0.4159	-0.4549	0.6704	0.1029	-0.4493	0.1595	0.3622	1.0721	-66.314	-32.1725	-11.453
42	6.6522	6.5538	-4.8137	6.9415	-3.9877	4.4668	1.4126	-1.5403	-1.2822	1.5902	-0.1816	-0.0848	0.5955	0.0762	-0.7949	0.8631	-0.2561	-0.2261	0.5935	0.3649	0.7825	-73.5983	-26.6218	-5.2932
43	2.2657	0.6436	0.0778	5.1045	1.1362	2.5159	0.4492	0.0156	-0.8184	-0.1283	-0.0809	0.6752	0.5854	-0.223	-0.3315	0.4603	0.0022	-0.1866	0.2185	0.0585	0.6132	-75.3629	-24.1608	-18.4786

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 3 through 43 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 44 through 56 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 57 through 89 )
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 9 through 16 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 17 through 30 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 31 through 45 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 46 through 54 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 55 through 74 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 75 through 92 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 93 through 98 )
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 3 through 11 )
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 12 through 28 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 29 through 43 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 44 through 56 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 57 through 67 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 68 through 76 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 77 through 84 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 85 through 92 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 9 through 16 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 17 through 30 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 31 through 45 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 46 through 54 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 55 through 66 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 67 through 92 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 93 through 98 )
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 1 through 28 )
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 29 through 56 )
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 57 through 88 )
29	X-RAY DIFFRACTION	29	chain 'F' and (resid 9 through 16 )
30	X-RAY DIFFRACTION	30	chain 'F' and (resid 17 through 30 )
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 31 through 74 )
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 75 through 98 )
33	X-RAY DIFFRACTION	33	chain 'G' and (resid 1 through 11 )
34	X-RAY DIFFRACTION	34	chain 'G' and (resid 12 through 43 )
35	X-RAY DIFFRACTION	35	chain 'G' and (resid 44 through 56 )
36	X-RAY DIFFRACTION	36	chain 'G' and (resid 57 through 76 )
37	X-RAY DIFFRACTION	37	chain 'G' and (resid 77 through 84 )
38	X-RAY DIFFRACTION	38	chain 'G' and (resid 85 through 89 )
39	X-RAY DIFFRACTION	39	chain 'H' and (resid 9 through 16 )
40	X-RAY DIFFRACTION	40	chain 'H' and (resid 17 through 30 )
41	X-RAY DIFFRACTION	41	chain 'H' and (resid 31 through 46 )
42	X-RAY DIFFRACTION	42	chain 'H' and (resid 47 through 54 )
43	X-RAY DIFFRACTION	43	chain 'H' and (resid 55 through 98 )

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