PDB-6czp: 2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive NAD(...

ID or keywords:

Entry

Database: PDB / ID: 6czp

Title

2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive NAD(P)H-dependent Nitroreductase NfsB from Vibrio vulnificus in Complex with FMN

Components

Oxygen-insensitive NAD(P)H nitroreductase

Keywords

OXIDOREDUCTASE / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID / oxygen-insensitive nitroreductase

Function / homology

Function and homology information

oxidoreductase activity / nucleotide binding
Similarity search - Function

Biological species

Vibrio vulnificus (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.24 Å

Authors

Minasov, G. / Wawrzak, Z. / Skarina, T. / Grimshaw, S. / Kwon, K. / Savchenko, A. / Satchell, K.J.F. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID)

Citation

Journal: Microbiol Resour Announc / Year: 2025
Title: Structural genomics of bacterial drug targets: Application of a high-throughput pipeline to solve 58 protein structures from pathogenic and related bacteria.
Authors: Inniss, N.L. / Minasov, G. / Chang, C. / Tan, K. / Kim, Y. / Maltseva, N. / Stogios, P. / Filippova, E. / Michalska, K. / Osipiuk, J. / Jaroszewki, L. / Godzik, A. / Savchenko, A. / ...

History

Deposition	Apr 9, 2018	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 25, 2018	Provider: repository / Type: Initial release
Revision 1.1	Oct 4, 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
Revision 1.2	Feb 11, 2026	Group: Database references / Structure summary / Category: citation / citation_author / pdbx_entry_details Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6czp.cif.gz	711.7 KB	Display	PDBx/mmCIF format
PDB format	pdb6czp.ent.gz	591.9 KB	Display	PDB format
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Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/cz/6czp ftp://data.pdbj.org/pub/pdb/validation_reports/cz/6czp	HTTPS FTP

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Related structure data

Related structure data	5tr3C 5tv2C 5ty0C 5u1oC 5u2gC 5u47C 5ue1C 5umeC 5umgC 5us8C 5uswC 5usxC 5utxC 5uu6C 5uwyC 5ux9C 5v0iC 5v36C 5vdnC 5vfbC 5vh6C 5vt3C 5wi5C 5wp0C 6aonC 6aooC 6awaC 6aziC 6b4oC 6b5fC 6b8dC 6balC 6bk7C 6blbC 6bq9C 6bz0C 6c8qC 6cmzC 6cn1C 6e5yC 6muqC 6n0iC 6n7fC 6nbkC 6nfpC 6nkjC 6po4C 6pu9C 6puaC 6pxaC 6w2zC 9bznC 9bzqC 9bzrC 1icrS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	1oo5-d 1v5y-d 3x21-4 1kqb-1 1kqd-1 1oo6-d 1icu-2 1oon-d 1nec-1 1icv-1 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) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetTrack: CSGID-IDP07377

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Oxygen-insensitive NAD(P)H nitroreductase

B: Oxygen-insensitive NAD(P)H nitroreductase

C: Oxygen-insensitive NAD(P)H nitroreductase

D: Oxygen-insensitive NAD(P)H nitroreductase

E: Oxygen-insensitive NAD(P)H nitroreductase

F: Oxygen-insensitive NAD(P)H nitroreductase

G: Oxygen-insensitive NAD(P)H nitroreductase

H: Oxygen-insensitive NAD(P)H nitroreductase

hetero molecules

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

1

A: Oxygen-insensitive NAD(P)H nitroreductase

B: Oxygen-insensitive NAD(P)H nitroreductase

hetero molecules

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

2

C: Oxygen-insensitive NAD(P)H nitroreductase

D: Oxygen-insensitive NAD(P)H nitroreductase

hetero molecules

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

3

E: Oxygen-insensitive NAD(P)H nitroreductase

F: Oxygen-insensitive NAD(P)H nitroreductase

hetero molecules

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

4

G: Oxygen-insensitive NAD(P)H nitroreductase

H: Oxygen-insensitive NAD(P)H nitroreductase

hetero molecules

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

Unit cell

Length a, b, c (Å)	118.769, 119.659, 131.175
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

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Protein , 1 types, 8 molecules ABCDEFGH

#1: Protein	Oxygen-insensitive NAD(P)H nitroreductase Mass: 24481.701 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Vibrio vulnificus (bacteria) / Gene: FORC36_4330 / Plasmid: pMCSG53 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3)-Magic / References: UniProt: A0A1W6MCC0, UniProt: Q7MCD2*PLUS

#1: Protein

Oxygen-insensitive NAD(P)H nitroreductase

Mass: 24481.701 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Vibrio vulnificus (bacteria) / Gene: FORC36_4330 / Plasmid: pMCSG53 / Production host:

Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3)-Magic / References: UniProt: A0A1W6MCC0, UniProt: Q7MCD2*PLUS

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Non-polymers , 6 types, 647 molecules

#2: Chemical	ChemComp-FMN / FLAVIN MONONUCLEOTIDE / RIBOFLAVIN MONOPHOSPHATE Mass: 456.344 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₁₇H₂₁N₄O₉P
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER Mass: 106.120 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#5: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Cl
#6: Chemical	ChemComp-PGE / TRIETHYLENE GLYCOL Mass: 150.173 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₆H₁₄O₄
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 627 / Source method: isolated from a natural source / Formula: H₂O

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Details

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: 2.35 Å³/Da / Density % sol: 47.8 %
Crystal grow	Temperature: 292 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: Protein: 17.0 mg/ml, 0.3M Sodium chloride, 0.01M HEPES pH 7.5, Screen: 0.2M Magnesium chloride, 0.1M Tris pH 8.5, 25% (w/v) PEG3350, Cryo: paratone

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å
Detector	Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Mar 14, 2018 / Details: C(111)
Radiation	Monochromator: Be / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97872 Å / Relative weight: 1
Reflection	Resolution: 2.2→30 Å / Num. obs: 88464 / % possible obs: 100 % / Observed criterion σ(I): -3 / Redundancy: 7.8 % / B_iso Wilson estimate: 48.5 Å² / R_merge(I) obs: 0.129 / R_pim(I) all: 0.048 / R_rim(I) all: 0.138 / R_sym value: 0.129 / Χ²: 1.02 / Net I/σ(I): 38.3
Reflection shell	Resolution: 2.2→2.24 Å / Redundancy: 7.3 % / R_merge(I) obs: 0.768 / Mean I/σ(I) obs: 3.1 / Num. unique obs: 4360 / CC_1/2: 0.852 / R_pim(I) all: 0.3 / R_rim(I) all: 0.826 / R_sym value: 0.768 / Χ²: 1.025 / % possible all: 100

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0222	refinement
HKL-3000		data reduction
HKL-3000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1ICR

1icr

Resolution: 2.24→29.91 Å / Cor.coef. F_o:F_c: 0.96 / Cor.coef. F_o:F_c free: 0.937 / SU B: 12.513 / SU ML: 0.158 / Cross valid method: THROUGHOUT / ESU R: 0.311 / ESU R Free: 0.215 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.22392	4434	5 %	RANDOM
R_work	0.17733	-	-	-
obs	0.17962	83952	97.58 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å

Displacement parameters

B_iso mean: 49.134 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.72 Å²	0 Å²	0 Å²
2-	-	3.56 Å²	0 Å²
3-	-	-	-1.84 Å²

Refinement step

Cycle: 1 / Resolution: 2.24→29.91 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13691	0	320	627	14638

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.007	0.015	14335
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.017	12899
X-RAY DIFFRACTION	r_angle_refined_deg	1.249	1.747	19356
X-RAY DIFFRACTION	r_angle_other_deg	0.438	1.732	30137
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	2.165	5	1746
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	18.525	18.547	475
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	9.108	15	2019
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	12.85	15	80
X-RAY DIFFRACTION	r_chiral_restr	0.052	0.2	1825
X-RAY DIFFRACTION	r_gen_planes_refined	0.022	0.02	16058
X-RAY DIFFRACTION	r_gen_planes_other	0.019	0.02	2754
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	1.592	2.851	6996
X-RAY DIFFRACTION	r_mcbond_other	1.592	2.852	6997
X-RAY DIFFRACTION	r_mcangle_it	2.458	4.268	8738
X-RAY DIFFRACTION	r_mcangle_other	2.458	4.269	8739
X-RAY DIFFRACTION	r_scbond_it	2.136	3.215	7339
X-RAY DIFFRACTION	r_scbond_other	2.136	3.215	7339
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	3.343	4.723	10619
X-RAY DIFFRACTION	r_long_range_B_refined	6.633	36.795	17018
X-RAY DIFFRACTION	r_long_range_B_other	6.606	36.652	16937
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 2.239→2.296 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.298	207	-
R_work	0.237	4278	-
obs	-	-	68.02 %

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	2.098	0.2539	-1.2119	1.1782	-0.2231	1.8857	-0.0484	0.1953	0.0257	-0.1941	0.0894	-0.1198	0.1253	-0.0177	-0.041	0.0877	0.0121	0.0267	0.0482	-0.0191	0.0412	16.278	39.2739	24.1432
2	9.943	-4.1746	-2.6406	5.9311	-0.4063	1.4301	-0.2627	-0.41	-0.4866	-0.0339	0.2848	-0.1308	0.2667	0.1218	-0.0222	0.3863	0.0707	-0.0298	0.04	-0.0629	0.5425	15.7494	11.6549	33.7818
3	2.2471	0.7318	-1.1447	1.3198	-0.5949	1.6859	-0.0887	0.1463	-0.0971	-0.0987	0.0695	-0.0467	0.1384	-0.0281	0.0192	0.1043	0.0046	0.019	0.0299	-0.0373	0.0641	10.3489	35.9513	30.2747
4	1.8998	-0.6885	0.2055	5.1918	-4.0568	9.6207	-0.0668	-0.1012	0.234	0.338	0.1167	-0.7158	-0.9984	0.1283	-0.05	0.1135	-0.0377	0.0261	0.13	-0.0793	0.1751	23.6703	51.5865	40.9502
5	1.3547	-0.5989	0.9812	2.4208	-1.0572	3.8899	0.4074	0.3476	0.0088	-0.3161	-0.094	-0.5916	1.1587	1.2944	-0.3134	0.431	0.2899	-0.0776	0.688	-0.0361	0.6211	33.2053	27.9957	37.9835
6	1.7862	-0.0592	-0.2957	3.1667	-0.3534	1.9338	-0.0178	-0.3993	-0.1642	0.1336	0.0709	-0.5403	0.0691	0.3838	-0.0531	0.1036	0.0097	-0.0526	0.1706	-0.0031	0.1295	19.8246	42.2297	47.2416
7	2.3031	-0.1751	0.0586	1.9261	-0.1876	1.3706	-0.0059	-0.2791	-0.4324	0.2274	0.004	-0.3713	0.1451	0.2809	0.0019	0.1495	0.0276	-0.0371	0.1362	0.0336	0.175	16.9687	34.4073	45.8135
8	3.5709	-2.6878	1.7618	4.7059	-3.5221	5.52	-0.262	0.1779	-0.3044	-0.4778	-0.0844	-0.5366	0.4837	0.3605	0.3464	0.231	0.016	0.1713	0.0791	-0.0731	0.2976	21.0256	22.245	26.7425
9	1.7587	-1.9894	1.0563	2.4495	-1.4694	4.0614	0.2144	0.0221	-0.497	-0.2331	-0.1005	0.8308	0.1691	-0.3704	-0.1139	0.077	0.0017	-0.0034	0.3087	-0.1328	0.6302	-34.6253	36.8502	46.672
10	1.9845	-0.2642	0.2126	1.4826	0.1464	1.3947	0.103	-0.0692	0.1044	0.2314	-0.1692	0.2793	-0.0795	-0.0891	0.0662	0.156	-0.0232	0.076	0.0624	-0.0245	0.0767	-15.2725	41.7998	53.4871
11	5.8038	-0.5141	1.2565	0.7197	-0.7811	0.9622	0.1367	-0.0562	0.3231	0.2052	-0.1705	0.0618	-0.2037	0.1178	0.0338	0.208	0.0138	0.0712	0.1723	-0.0702	0.214	-20.3829	45.4934	46.9272
12	3.728	-1.0184	0.5681	2.1284	-0.7721	4.0224	0.0581	0.0238	-0.0407	-0.3926	-0.0183	0.3035	0.34	-0.7736	-0.0397	0.16	-0.0662	-0.0382	0.2535	-0.1331	0.2589	-27.9843	24.7621	38.0761
13	2.8441	-0.1691	1.3616	8.6753	-5.5314	4.1394	-0.355	-0.8463	0.3266	0.9297	0.4488	0.4193	-0.5943	-0.7689	-0.0938	0.5392	-0.0048	0.1755	0.6796	0.0276	0.2107	-25.8854	29.167	63.8935
14	1.5793	-0.0643	0.3345	1.9688	-0.6733	3.4182	0.0249	-0.0852	-0.5515	0.051	-0.1707	0.2586	0.5592	-0.3017	0.1458	0.2158	-0.1018	0.0578	0.0681	-0.0277	0.2584	-18.5142	18.7006	48.257
15	3.0581	0.6177	-0.1978	2.2445	-0.7681	2.3165	0.0131	-0.1248	-0.2646	0.1078	-0.0611	0.322	0.2883	-0.2193	0.048	0.1207	-0.022	0.0449	0.0393	-0.0139	0.1021	-14.4041	25.477	46.1557
16	1.8972	1.8703	-1.7223	5.3285	-5.7394	6.2817	-0.1744	-0.4851	-0.0341	0.1019	-0.0416	-0.1725	-0.1176	-0.1337	0.216	0.3449	-0.0395	0.1533	0.3133	-0.0722	0.1415	-19.041	40.4567	65.359
17	0.9887	0.1701	-0.3087	1.6198	-0.8106	1.6987	0.0831	-0.1498	-0.0274	0.2225	-0.1744	-0.0932	0.009	0.2688	0.0914	0.1178	0.032	-0.0187	0.0894	0.0142	0.0151	-6.0813	15.1224	8.0329
18	2.3119	1.1655	-1.1721	2.3648	-1.2994	1.8232	0.0641	-0.0087	-0.2026	-0.0247	-0.3184	-0.4528	0.2389	0.5194	0.2543	0.1064	0.1231	-0.025	0.2929	0.1033	0.1455	9.9841	17.0543	-3.0841
19	0.7965	-0.231	-0.4013	2.5883	-0.6854	2.2104	0.1123	-0.0672	0.0338	0.3647	-0.0054	0.0438	-0.0908	0.1027	-0.1069	0.1225	0.0144	-0.0104	0.0674	-0.006	0.019	-8.4995	21.3628	7.4448
20	4.3667	-1.1817	-3.0445	2.0187	0.8135	6.9651	0.1509	0.0446	-0.1871	-0.1147	-0.0148	0.1989	0.3912	-0.3207	-0.1361	0.1297	-0.0018	-0.0698	0.0293	0.0021	0.0482	-18.6793	5.6051	-8.1261
21	3.0165	-1.0272	0.4018	2.3121	-0.9275	1.1702	0.166	0.0605	-0.7882	-0.4125	-0.1776	-0.244	0.824	0.3597	0.0116	0.6221	0.2475	-0.0097	0.3909	0.0187	0.437	0.472	-2.5204	-5.546
22	2.0194	-0.3545	0.8148	1.7991	-0.3872	1.6027	0.1782	0.3427	-0.1295	-0.3077	-0.1947	-0.2285	0.3854	0.3104	0.0165	0.1999	0.1057	0.0154	0.1651	-0.0121	0.0519	-6.6291	12.3072	-13.8465
23	1.9497	-1.4027	0.3562	6.0069	-3.745	2.9647	0.4667	0.5343	-0.2785	-0.5065	-0.5887	-0.2657	0.3095	0.5944	0.122	0.3004	0.2217	-0.0133	0.4468	-0.1316	0.2346	0.962	6.7625	-15.7995
24	4.674	-1.8841	-4.1714	1.9983	1.6212	5.2534	-0.1908	-0.3141	-0.3887	0.3788	-0.3452	-0.328	0.3449	0.6231	0.536	0.2288	0.0669	-0.0914	0.4219	0.194	0.3237	10.7456	9.0566	5.7602
25	1.2776	-0.3089	0.0556	0.9995	0.9388	2.4034	-0.0549	0.3622	0.2662	-0.2459	0.0527	-0.4519	-0.2791	0.4791	0.0021	0.2064	-0.0527	0.1084	0.3956	0.1243	0.3272	12.8837	47.6899	-23.1721
26	0.1223	-0.6795	-0.335	7.4461	1.7265	0.957	-0.0245	-0.0059	-0.0222	0.5158	-0.0845	0.3339	0.0167	0.0264	0.109	0.0976	0.0037	-0.0154	0.0552	0.0188	0.1347	2.5466	54.8266	2.8981
27	1.4407	0.5867	-0.1988	1.4242	0.1519	1.9419	-0.1066	0.3145	0.0915	-0.1731	0.0383	-0.2716	-0.1073	0.396	0.0683	0.0604	-0.0009	0.0407	0.2276	0.0999	0.1108	8.6085	42.2102	-19.3597
28	3.7268	1.5283	-3.6308	1.6781	-1.302	5.3308	-0.2919	0.176	0.0904	-0.6046	-0.0546	0.0233	0.0998	0.175	0.3465	0.2524	0.0152	-0.0273	0.2832	0.1379	0.1194	-6.7095	45.7672	-36.1288
29	3.6197	-1.4877	0.6351	1.443	-0.0431	3.7648	-0.1642	0.0152	0.7369	-0.1495	-0.2075	-0.0407	-0.3873	0.0884	0.3717	0.1399	0.07	-0.0758	0.1528	0.0633	0.3773	-4.8826	63.4153	-17.8576
30	1.5877	-0.2452	-0.3954	2.7274	1.0891	2.1663	-0.0555	0.1237	0.365	-0.2706	-0.07	0.2533	-0.0995	-0.1104	0.1255	0.0865	0.0573	-0.0575	0.2054	0.0745	0.1618	-13.0071	47.4177	-21.7132
31	1.1485	-0.4384	0.4607	1.9981	0.7569	1.0239	-0.0117	0.3322	0.246	-0.3222	-0.0664	0.0113	-0.0124	0.2041	0.0781	0.2311	0.0289	0.0139	0.3467	0.1138	0.1182	-2.0858	39.3515	-28.7116
32	1.3377	0.1775	0.4662	1.101	-0.0146	0.9169	-0.118	-0.0021	0.4007	-0.0551	-0.0274	0.0929	-0.1313	-0.073	0.1454	0.0715	0.0428	-0.0257	0.1454	0.034	0.1316	-5.8381	50.7843	-12.7647

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	-1 - 95
2	X-RAY DIFFRACTION	2	A	96 - 124
3	X-RAY DIFFRACTION	3	A	125 - 195
4	X-RAY DIFFRACTION	4	A	196 - 217
5	X-RAY DIFFRACTION	5	B	0 - 24
6	X-RAY DIFFRACTION	6	B	25 - 124
7	X-RAY DIFFRACTION	7	B	125 - 197
8	X-RAY DIFFRACTION	8	B	198 - 217
9	X-RAY DIFFRACTION	9	C	-1 - 25
10	X-RAY DIFFRACTION	10	C	26 - 179
11	X-RAY DIFFRACTION	11	C	180 - 195
12	X-RAY DIFFRACTION	12	C	196 - 217
13	X-RAY DIFFRACTION	13	D	0 - 17
14	X-RAY DIFFRACTION	14	D	18 - 109
15	X-RAY DIFFRACTION	15	D	110 - 198
16	X-RAY DIFFRACTION	16	D	199 - 217
17	X-RAY DIFFRACTION	17	E	-1 - 99
18	X-RAY DIFFRACTION	18	E	100 - 156
19	X-RAY DIFFRACTION	19	E	157 - 195
20	X-RAY DIFFRACTION	20	E	196 - 217
21	X-RAY DIFFRACTION	21	F	0 - 36
22	X-RAY DIFFRACTION	22	F	37 - 179
23	X-RAY DIFFRACTION	23	F	180 - 195
24	X-RAY DIFFRACTION	24	F	196 - 217
25	X-RAY DIFFRACTION	25	G	1 - 98
26	X-RAY DIFFRACTION	26	G	99 - 124
27	X-RAY DIFFRACTION	27	G	125 - 197
28	X-RAY DIFFRACTION	28	G	198 - 217
29	X-RAY DIFFRACTION	29	H	0 - 24
30	X-RAY DIFFRACTION	30	H	25 - 99
31	X-RAY DIFFRACTION	31	H	100 - 163
32	X-RAY DIFFRACTION	32	H	164 - 217

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