PDB-8std: S127A variant of LarB, a carboxylase/hydrolase involved in synthe...

ID or keywords:

Entry

Database: PDB / ID: 8std

Title

S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD and soaked with CS2

Components

Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

Keywords

LYASE /

Carboxylase /

Hydrolase / LYASE (CARBON-CARBON)

Function / homology

Function and homology information

pyridinium-3,5-biscarboxylic acid mononucleotide synthase / 'de novo' IMP biosynthetic process /

transferase activity /

hydrolase activity /

plasma membrane
Similarity search - Function

Biological species

Lactiplantibacillus plantarum WCFS1 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.65 Å

Authors

Chatterjee, S. / Rankin, J.A. / Hu, J. / Hausinger, R.P.

Funding support

United States, 2items

Organization	Grant number	Country
National Science Foundation (NSF, United States)	CHE-1807073	United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	GM128959	United States

Citation

Journal: Biochemistry / Year: 2023
Title: Structure of the LarB-Substrate Complex and Identification of a Reaction Intermediate during Nickel-Pincer Nucleotide Cofactor Biosynthesis.
Authors: Chatterjee, S. / Nevarez, J.L. / Rankin, J.A. / Hu, J. / Hausinger, R.P.

History

Deposition	May 10, 2023	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 27, 2023	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8std.cif.gz	459 KB	Display	PDBx/mmCIF format
PDB format	pdb8std.ent.gz	380.3 KB	Display	PDB format
PDBx/mmJSON format	8std.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/st/8std ftp://data.pdbj.org/pub/pdb/validation_reports/st/8std	HTTPS FTP

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Related structure data

Related structure data	8soqC 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

Deposited unit

A: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

B: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

C: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

D: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

E: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

F: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

hetero molecules

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

1

A: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

B: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

hetero molecules

A: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

B: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

hetero molecules

A: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

B: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

hetero molecules

A: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

B: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

hetero molecules

defined by author&software
Evidence: gel filtration
218 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

D: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

hetero molecules

C: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

D: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

hetero molecules

C: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

D: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

hetero molecules

C: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

D: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

hetero molecules

defined by author&software
Evidence: gel filtration
218 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

E: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

F: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

hetero molecules

E: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

F: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

hetero molecules

E: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

F: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

hetero molecules

E: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

F: Pyridinium-3,5-biscarboxylic acid mononucleotide synthase

hetero molecules

defined by author&software
Evidence: gel filtration
217 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	118.839, 118.839, 211.289
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	90
Space group name H-M	P42₁2

#1: Protein	Pyridinium-3,5-biscarboxylic acid mononucleotide synthase / P2CMN synthase / Lactate racemase accessory protein LarB / Lactate racemase activation protein LarB ...P2CMN synthase / Lactate racemase accessory protein LarB / Lactate racemase activation protein LarB / Lactate racemase maturation protein LarB / Lactate racemization operon protein LarB / Nickel-pincer cofactor biosynthesis protein LarB / Nicotinic acid adenine dinucleotide carboxylase/hydrolase / NaAD carboxylase/hydrolase Mass: 26494.227 Da / Num. of mol.: 6 / Mutation: S127A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lactiplantibacillus plantarum WCFS1 (bacteria) Strain: ATCC BAA-793 / NCIMB 8826 / WCFS1 / Gene: larB, lp_0105 / Production host: Escherichia coli BL21(DE3) (bacteria) References: UniProt: F9UST0, pyridinium-3,5-biscarboxylic acid mononucleotide synthase
#2: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: Mg
#3: Chemical	ChemComp-DND / NICOTINIC ACID ADENINE DINUCLEOTIDE / DEAMIDO-NAD+ Mass: 665.418 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₂₁H₂₇N₆O₁₅P₂ / Feature type: SUBJECT OF INVESTIGATION
Has ligand of interest	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.38 Å³/Da / Density % sol: 48.24 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, sitting drop Details: 100 mM magnesium formate, 20% w/v PEG 3350, 2 mM nitrilotriacetic acid neutralized to a pH of ~7.5 with sodium hydroxide, and 0.7 mM zinc sulfate, 10 mM EDTA, 10 mM Nicotinic acid adenine ...Details: 100 mM magnesium formate, 20% w/v PEG 3350, 2 mM nitrilotriacetic acid neutralized to a pH of ~7.5 with sodium hydroxide, and 0.7 mM zinc sulfate, 10 mM EDTA, 10 mM Nicotinic acid adenine dinucleotide sodium salt, soaked with ~10-15% Carbon disulfide for 20 minutes during freezing

Crystal

Density Matthews: 2.38 Å³/Da / Density % sol: 48.24 %

Crystal grow

Temperature: 277 K / Method: vapor diffusion, sitting drop
Details: 100 mM magnesium formate, 20% w/v PEG 3350, 2 mM nitrilotriacetic acid neutralized to a pH of ~7.5 with sodium hydroxide, and 0.7 mM zinc sulfate, 10 mM EDTA, 10 mM Nicotinic acid adenine ...

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-D / Wavelength: 1.5498 Å
Detector	Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Nov 3, 2022
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.5498 Å / Relative weight: 1
Reflection	Resolution: 2.65→84.03 Å / Num. obs: 44856 / % possible obs: 100 % / Redundancy: 6.7 % / CC_1/2: 0.983 / Net I/σ(I): 6.5
Reflection shell	Resolution: 2.65→2.75 Å / Mean I/σ(I) obs: 1.1 / Num. unique obs: 4607 / CC_1/2: 0.38

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Processing

Software

Name	Version	Classification
PHENIX	(1.19_4092: ???)	refinement
iMOSFLM		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.65→78.96 Å / SU ML: 0.44 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 29.58 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2728	2245	5.04 %
R_work	0.2418	-	-
obs	0.2434	44538	99.44 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.65→78.96 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8360	0	219	0	8579

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.018	8752
X-RAY DIFFRACTION	f_angle_d	1.002	12026
X-RAY DIFFRACTION	f_dihedral_angle_d	13.588	2831
X-RAY DIFFRACTION	f_chiral_restr	0.051	1517
X-RAY DIFFRACTION	f_plane_restr	0.007	1533

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 (%)
2.65-2.71	0.3884	140	0.3563	2612	X-RAY DIFFRACTION	100
2.71-2.77	0.3854	134	0.3361	2589	X-RAY DIFFRACTION	100
2.77-2.84	0.329	143	0.323	2620	X-RAY DIFFRACTION	100
2.84-2.92	0.3431	131	0.3182	2613	X-RAY DIFFRACTION	100
2.92-3	0.3671	131	0.3144	2625	X-RAY DIFFRACTION	100
3-3.1	0.3829	131	0.3027	2606	X-RAY DIFFRACTION	100
3.1-3.21	0.3536	144	0.2803	2627	X-RAY DIFFRACTION	100
3.21-3.34	0.2578	134	0.2601	2600	X-RAY DIFFRACTION	100
3.34-3.49	0.286	152	0.2466	2643	X-RAY DIFFRACTION	100
3.49-3.67	0.265	137	0.2473	2629	X-RAY DIFFRACTION	100
3.67-3.9	0.2612	144	0.2238	2652	X-RAY DIFFRACTION	100
3.91-4.21	0.2542	143	0.224	2651	X-RAY DIFFRACTION	100
4.21-4.63	0.2058	127	0.1909	2626	X-RAY DIFFRACTION	98
4.63-5.3	0.251	153	0.2019	2656	X-RAY DIFFRACTION	98
5.3-6.68	0.295	149	0.2617	2707	X-RAY DIFFRACTION	99
6.68-78.96	0.2301	152	0.2102	2837	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	9.4201	4.7918	6.5242	2.5033	3.4711	2.0548	1.1269	-2.7116	0.1333	2.2917	-1.2289	0.7579	0.8527	0.5784	0.0241	1.2303	-0.0038	0.1209	0.8131	-0.3	0.9247	42.434	-23.005	4.827
2	3.3278	-4.4384	-2.3324	9.3666	-0.6014	5.7042	0.1864	1.5337	-1.925	-1.3051	-0.4061	-0.4545	1.0729	0.448	0.0916	0.8443	0.0057	0.1858	0.9005	-0.3649	0.8325	43.47	-22.608	-2.579
3	6.9404	-4.3012	-1.0342	8.248	1.1742	4.8741	1.1363	1.4118	-0.208	-2.2949	-0.4926	-0.4183	-1.8385	0.5092	-0.6914	1.0248	-0.074	0.1515	1.3114	-0.2045	0.5311	40.459	-15.112	-7.305
4	7.0572	-4.9497	-5.599	9.3115	-1.0098	8.5514	-0.0951	1.0424	-0.9432	-1.1463	-2.5422	1.8814	2.0867	-1.9586	0.8811	0.361	-0.0221	-0.244	0.8894	-0.4662	1.0886	27.178	-13.165	8.282
5	5.1166	0.5554	-1.4315	6.8093	4.0516	6.457	-0.0148	0.5586	0.314	-0.8763	-0.5067	0.9934	-0.481	-0.4401	0.4694	0.3321	0.0954	-0.1043	0.4718	-0.0195	0.4498	30.794	-3.381	11.925
6	7.1878	2.6233	0.3986	8.6369	1.2161	7.4664	0.0835	0.3896	-0.2151	0.209	-0.111	-0.4049	0.1299	-0.0664	-0.003	0.2191	0.0406	-0.0442	0.2304	0.0161	0.375	39.109	-6.601	18.388
7	6.3029	-0.3409	-0.4583	3.2955	3.0013	3.5416	-0.153	-0.7301	1.8366	0.4206	-0.4499	0.947	-0.0257	-0.4948	0.6758	0.7199	-0.0393	-0.0381	0.7359	-0.3685	1.0588	30.447	-4.382	43.488
8	0.805	0.4845	1.1266	7.2786	2.5992	5.4602	-0.4286	-2.2097	0.1335	2.6951	0.1547	-0.4935	1.081	0.676	0.01	0.9643	0.0727	-0.1239	1.2024	-0.2523	0.4443	36.616	-10.089	51.08
9	8.8696	3.543	-0.6201	5.9933	-0.1094	2.0164	-0.4481	-0.8082	-0.3179	0.6007	-0.1818	0.2102	0.5502	-0.0265	0.5804	0.5141	-0.0977	0.0967	0.3632	-0.0196	0.3876	36.487	-21.185	36.424
10	6.3931	-3.9707	-3.052	9.0357	-0.4927	6.9683	-0.6713	-0.3107	-0.8685	0.2663	0.035	-0.1037	0.6909	0.2769	0.5295	0.4159	-0.0824	0.0972	0.2573	-0.0231	0.5234	45.364	-26.425	26.663
11	4.8473	4.7883	6.0675	4.3432	5.3987	8.9924	0.3886	0.3791	-0.9835	0.7906	0.2055	0.0865	0.9505	0.6771	-0.5377	0.4695	-0.0338	-0.002	0.3087	-0.0578	0.4469	44.538	-17.855	26.789
12	8.9747	-1.4976	-4.5619	1.6016	-0.7925	6.0595	0.1835	0.0728	0.7403	0.3235	-0.1885	-0.1386	-0.1179	-0.0879	0.013	0.3329	-0.0293	0.011	0.1802	-0.0062	0.4837	43.253	-12.771	26.113
13	7.9455	1.6379	2.5955	4.1335	-2.3789	6.7108	0.403	1.0514	0.5	-1.4008	-0.3954	1.2972	0.8212	-0.7414	0.0073	0.9385	0.1744	-0.3389	0.856	0.0542	0.6888	-2.467	-33.178	19.719
14	2.9942	-0.1689	1.2575	6.9663	0.0881	4.7434	0.1273	0.4149	0.3012	-0.9915	-0.017	-0.5788	-0.2769	0.0353	-0.0766	0.3925	-0.0411	0.1325	0.4272	0.025	0.3752	16.805	-36.206	31.846
15	6.9252	0.1104	0.3512	4.0524	-1.7801	7.4428	-0.0373	0.4607	-0.4997	-0.3922	0.0307	-0.1031	0.8682	0.2883	-0.0006	0.2892	-0.0509	0.0216	0.3053	0.0415	0.3838	11.73	-47.391	40.038
16	7.9982	3.1745	-1.8388	3.6387	-4.2186	5.5651	-0.1597	-0.1495	0.4446	0.6844	0.4584	0.4367	-0.3823	-0.1357	-0.2744	0.3857	0.0682	-0.0412	0.3654	-0.0029	0.3731	8.739	-35.25	40.063
17	8.9779	3.4594	4.3667	7.167	2.3425	7.1412	-0.3174	-2.1891	-0.7891	-0.0447	-0.6488	-1.5884	0.4543	1.9517	0.7401	0.6264	-0.1596	-0.0776	2.0893	0.381	0.8415	18.658	-37.09	66.724
18	0.9572	-0.0389	-1.5659	2.4757	-3.2504	6.9086	0.2749	-1.6884	-0.5733	1.1216	-0.552	-0.3909	0.3764	-0.5112	-0.0168	1.3003	-1.0305	-0.5004	2.7112	0.067	0.2311	13.333	-36.613	77.813
19	0.5623	0.1308	0.6159	0.3392	0.5929	2.1345	0.1598	-0.9858	0.5366	0.3448	-0.2063	-0.176	-0.3756	0.1041	0.1085	1.1317	-0.8243	-0.1107	2.8045	-0.504	-0.4756	8.247	-34.009	69.569
20	3.7877	-4.7113	3.5449	6.4194	-4.4262	9.0272	-0.4569	-0.9307	2.3088	0.627	-0.7912	-0.2079	-1.7998	0.9387	1.1438	0.7319	-0.2845	0.068	0.8595	-0.4098	0.8457	5.678	-23.953	57.404
21	6.4989	-0.0671	0.0424	3.7708	-1.368	7.5846	0.012	-1.2907	0.8561	0.5022	-0.0736	0.6221	-0.8172	0.0596	0.087	0.4491	-0.0381	0.1203	0.5305	-0.2293	0.6347	-3.016	-30.074	53.77
22	6.7696	-2.6977	-1.1843	7.0962	-5.1665	9.3473	0.0437	-0.2954	0.115	-0.1964	0.1674	-0.0605	-0.0122	-0.0773	-0.2999	0.3128	-0.0025	-0.0483	0.3929	-0.1058	0.3121	-0.396	-35.946	49.388
23	6.7759	1.5306	1.9245	5.8865	0.4888	7.7586	0.1341	-0.1127	-1.1023	0.668	-0.7319	-0.356	-0.003	0.4103	0.6044	0.3159	-0.0408	0.0641	0.3565	-0.0008	0.5959	-2.505	-45.456	46.613
24	8.4315	7.9722	-0.6046	8.708	2.3211	5.0832	0.3499	-1.0066	-0.07	-0.4885	-0.8354	-0.2265	-0.5272	0.9092	0.3709	0.3518	-0.0119	-0.0424	0.6052	-0.0565	0.3877	10.125	-31.223	49.143
25	1.7026	-2.1713	3.4712	7.2274	-3.2567	7.454	-0.4622	0.049	0.4618	-1.7446	1.4642	-0.8775	1.3439	0.0407	-1.1146	1.7504	0.3471	0.2625	1.2728	-0.0237	1.1096	64.988	-33.815	79.235
26	3.7161	-2.4199	-0.3499	4.4771	0.4432	1.9466	-0.3061	-0.116	-0.138	-0.2477	-0.9507	-1.0132	-0.4129	0.9752	0.7428	1.5914	0.4247	0.8087	1.0215	0.2733	0.7288	60.085	-26.732	71.692
27	3.3748	1.4594	3.3147	2	2.2747	4.0691	0.032	1.5573	-0.2894	0.9722	-0.1292	0.1089	1.4673	0.5099	-0.0844	1.6409	0.1873	0.4798	1.0857	0.1652	0.7735	53.658	-22.846	64.984
28	4.5574	4.3765	-5.962	4.4137	-5.4536	8.4069	-0.5905	-0.6038	-0.3234	-0.4985	-0.3493	1.1068	2.0477	-0.4803	1.168	1.0628	-0.3596	0.0394	0.8438	-0.2011	0.6248	39.868	-28.768	79.637
29	5.9407	0.0206	2.2891	2.6825	-1.3134	5.9745	0.0527	-0.3314	0.2034	-0.7153	-0.3903	0.4203	1.1403	-0.9613	0.3512	0.8617	-0.3116	0.2329	0.8079	-0.3351	0.6306	37.602	-18.594	83.41
30	2.5066	-2.2648	1.8542	3.8891	-2.0007	7.0036	-0.3789	0.0035	0.6768	-0.181	-0.46	-0.4309	-0.2559	-0.7834	0.6993	0.4675	-0.0306	0.1586	0.5025	-0.2131	0.7594	46.159	-10.412	88.996
31	8.1635	4.5075	1.1026	8.7572	-2.2844	5.124	-0.7807	0.7266	-0.1621	-0.8306	0.5273	-0.7793	1.6894	-0.8853	0.1774	0.8426	-0.1471	0.347	0.5276	-0.1297	0.6609	47.672	-22.538	88.925
32	1.2665	0.1338	-2.4823	4.7496	2.5532	8.3863	-0.1224	-1.1181	0.7026	0.7883	0.7304	1.2144	0.7662	-1.6558	0.4162	0.8326	0.0401	0.8544	2.0605	-0.9724	0.475	36.049	-19.713	115.134
33	5.2936	-1.4219	-2.8434	0.577	0.5697	1.8321	-0.2859	-2.3796	0.371	0.3773	-0.2186	-0.2954	1.1323	-0.3463	0.5016	1.2125	-0.4409	0.2877	1.7855	-0.2198	0.6844	43.667	-23.141	119.5
34	2.1722	-2.7235	-0.9912	4.4703	2.0177	1.9911	-0.2977	-2.0399	-1.1002	-0.3557	-0.8825	-0.6413	1.7899	-0.7137	0.8533	1.2233	-0.474	0.3991	1.1547	0.0739	0.6854	51.584	-29.55	108.225
35	6.9755	0.9992	-1.1231	3.1446	-1.1363	4.2113	0.442	-0.8411	-0.6581	-0.2163	-1.0005	-1.3696	2.0679	-0.3914	0.6706	1.6766	-0.1546	0.4393	0.8624	0.115	0.8788	61.17	-33.294	102.384
36	3.0222	-3.8379	-1.1244	4.7365	0.8077	7.4542	0.0112	-0.452	-0.4079	0.1108	-0.5716	-0.6101	0.7808	0.4724	0.3067	1.1598	-0.2662	0.4416	0.5522	0.0438	0.6195	59.384	-26.007	97.743
37	5.9165	2.2165	0.7419	3.0048	-2.9212	5.5022	0.2174	0.3401	0.7894	0.5519	-0.6735	0.0208	1.1958	0.0815	0.366	0.6676	-0.0282	0.3179	0.5818	0.0076	0.6999	59.053	-18.323	97.661
38	6.5703	4.4261	4.4362	3.3482	1.514	8.155	0.0474	1.1841	0.13	0.6711	0.8368	-0.8216	0.8103	0.2508	-0.6931	0.7123	-0.1119	0.2891	0.75	-0.2574	0.8452	54.729	-19.828	94.715
39	5.9013	-2.6135	-4.1037	5.6659	0.9462	5.5706	-0.1116	0.8582	-0.2558	-0.038	-0.6053	1.0271	1.1492	-1.58	0.616	1.1639	-0.5731	0.3182	1.3597	-0.2756	0.609	43.768	-28.297	100.221

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	( CHAIN A AND RESID 44:58 )	A	44 - 58
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 59:82 )	A	59 - 82
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 83:107 )	A	83 - 107
4	X-RAY DIFFRACTION	4	( CHAIN A AND RESID 108:125 )	A	108 - 125
5	X-RAY DIFFRACTION	5	( CHAIN A AND RESID 126:188 )	A	126 - 188
6	X-RAY DIFFRACTION	6	( CHAIN A AND RESID 189:246 )	A	189 - 246
7	X-RAY DIFFRACTION	7	( CHAIN B AND RESID 44:82 )	B	44 - 82
8	X-RAY DIFFRACTION	8	( CHAIN B AND RESID 83:107 )	B	83 - 107
9	X-RAY DIFFRACTION	9	( CHAIN B AND RESID 108:153 )	B	108 - 153
10	X-RAY DIFFRACTION	10	( CHAIN B AND RESID 154:190 )	B	154 - 190
11	X-RAY DIFFRACTION	11	( CHAIN B AND RESID 191:204 )	B	191 - 204
12	X-RAY DIFFRACTION	12	( CHAIN B AND RESID 205:246 )	B	205 - 246
13	X-RAY DIFFRACTION	13	( CHAIN C AND RESID 45:95 )	C	45 - 95
14	X-RAY DIFFRACTION	14	( CHAIN C AND RESID 96:190 )	C	96 - 190
15	X-RAY DIFFRACTION	15	( CHAIN C AND RESID 191:218 )	C	191 - 218
16	X-RAY DIFFRACTION	16	( CHAIN C AND RESID 219:246 )	C	219 - 246
17	X-RAY DIFFRACTION	17	( CHAIN D AND RESID 46:82 )	D	46 - 82
18	X-RAY DIFFRACTION	18	( CHAIN D AND RESID 83:96 )	D	83 - 96
19	X-RAY DIFFRACTION	19	( CHAIN D AND RESID 97:107 )	D	97 - 107
20	X-RAY DIFFRACTION	20	( CHAIN D AND RESID 108:125 )	D	108 - 125
21	X-RAY DIFFRACTION	21	( CHAIN D AND RESID 126:190 )	D	126 - 190
22	X-RAY DIFFRACTION	22	( CHAIN D AND RESID 191:204 )	D	191 - 204
23	X-RAY DIFFRACTION	23	( CHAIN D AND RESID 205:223 )	D	205 - 223
24	X-RAY DIFFRACTION	24	( CHAIN D AND RESID 224:250 )	D	224 - 250
25	X-RAY DIFFRACTION	25	( CHAIN E AND RESID 29:48 )	E	29 - 48
26	X-RAY DIFFRACTION	26	( CHAIN E AND RESID 49:82 )	E	49 - 82
27	X-RAY DIFFRACTION	27	( CHAIN E AND RESID 83:107 )	E	83 - 107
28	X-RAY DIFFRACTION	28	( CHAIN E AND RESID 108:125 )	E	108 - 125
29	X-RAY DIFFRACTION	29	( CHAIN E AND RESID 126:190 )	E	126 - 190
30	X-RAY DIFFRACTION	30	( CHAIN E AND RESID 191:218 )	E	191 - 218
31	X-RAY DIFFRACTION	31	( CHAIN E AND RESID 219:246 )	E	219 - 246
32	X-RAY DIFFRACTION	32	( CHAIN F AND RESID 44:69 )	F	44 - 69
33	X-RAY DIFFRACTION	33	( CHAIN F AND RESID 70:106 )	F	70 - 106
34	X-RAY DIFFRACTION	34	( CHAIN F AND RESID 107:141 )	F	107 - 141
35	X-RAY DIFFRACTION	35	( CHAIN F AND RESID 142:169 )	F	142 - 169
36	X-RAY DIFFRACTION	36	( CHAIN F AND RESID 170:188 )	F	170 - 188
37	X-RAY DIFFRACTION	37	( CHAIN F AND RESID 189:218 )	F	189 - 218
38	X-RAY DIFFRACTION	38	( CHAIN F AND RESID 219:232 )	F	219 - 232
39	X-RAY DIFFRACTION	39	( CHAIN F AND RESID 233:246 )	F	233 - 246

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