PDB-4c5l: Structure of the pyridoxal kinase from Staphylococcus aureus in c...

ID or keywords:

Entry

Database: PDB / ID: 4c5l

Title

Structure of the pyridoxal kinase from Staphylococcus aureus in complex with pyridoxal

Components

PHOSPHOMETHYLPYRIMIDINE KINASE

Keywords

TRANSFERASE / RIBOKINASE

Function / homology

Function and homology information

phosphomethylpyrimidine kinase activity / hydroxymethylpyrimidine kinase activity / pyridoxal kinase / thiamine biosynthetic process / nucleotide binding / cytosol
Similarity search - Function

Biological species

STAPHYLOCOCCUS AUREUS SUBSP. AUREUS MU50 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.85 Å

Authors

Nodwell, M. / Alte, F. / Sieber, S.A. / Schneider, S.

Citation

Journal: J.Am.Chem.Soc. / Year: 2014
Title: A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage.
Authors: Nodwell, M.B. / Koch, M.F. / Alte, F. / Schneider, S. / Sieber, S.A.

History

Deposition	Sep 12, 2013	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Mar 19, 2014	Provider: repository / Type: Initial release
Revision 1.1	Apr 16, 2014	Group: Database references
Revision 1.2	Oct 16, 2019	Group: Data collection / Derived calculations / Other Category: pdbx_database_status / pdbx_struct_assembly_gen ...pdbx_database_status / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / struct_conn Item: _pdbx_database_status.status_code_sf / _pdbx_struct_assembly_gen.asym_id_list / _struct_conn.pdbx_leaving_atom_flag
Revision 1.3	Dec 20, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.4	Oct 23, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4c5l.cif.gz	413.4 KB	Display	PDBx/mmCIF format
PDB format	pdb4c5l.ent.gz	344.9 KB	Display	PDB format
PDBx/mmJSON format	4c5l.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	4c5l_validation.pdf.gz	505.4 KB	Display	wwPDB validaton report
Full document	4c5l_full_validation.pdf.gz	517.9 KB	Display
Data in XML	4c5l_validation.xml.gz	42 KB	Display
Data in CIF	4c5l_validation.cif.gz	58.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/c5/4c5l ftp://data.pdbj.org/pub/pdb/validation_reports/c5/4c5l	HTTPS FTP

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Related structure data

Related structure data	4c5jSC 4c5kC 4c5mC 4c5nC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	4o5s-d 3c37-d 4jrb-d 4wuq-d 6evr-d 6i0j-d 2uwb-d 1dlk-d 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

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: PHOSPHOMETHYLPYRIMIDINE KINASE

B: PHOSPHOMETHYLPYRIMIDINE KINASE

C: PHOSPHOMETHYLPYRIMIDINE KINASE

D: PHOSPHOMETHYLPYRIMIDINE KINASE

hetero molecules

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

1

A: PHOSPHOMETHYLPYRIMIDINE KINASE

D: PHOSPHOMETHYLPYRIMIDINE KINASE

hetero molecules

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

2

B: PHOSPHOMETHYLPYRIMIDINE KINASE

C: PHOSPHOMETHYLPYRIMIDINE KINASE

hetero molecules

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

Unit cell

Length a, b, c (Å)	63.440, 102.780, 83.520
Angle α, β, γ (deg.)	90.00, 90.44, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS oper:

ID	Code	Matrix	Vector
1	given	(0.9973, 0.0023, -0.0734), (-0.004, 0.9997, -0.0238), (0.0733, 0.024, 0.997)	0.9407, -1.7557, 41.7491
2	given	(-0.998, 0.0112, 0.0626), (-0.0183, -0.9933, -0.1139), (0.0609, -0.1148, 0.9915)	-27.3562, 5.6952, 42.1933
3	given	(-1, 0.0018, -0.0007), (-0.0017, -0.9888, -0.1496), (-0.001, -0.1496, 0.9888)	-25.7177, 9.6722, 0.6748

#1: Protein	PHOSPHOMETHYLPYRIMIDINE KINASE / PYRIDOXAL KINASE Mass: 29811.793 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) STAPHYLOCOCCUS AUREUS SUBSP. AUREUS MU50 (bacteria) Production host: ESCHERICHIA COLI (E. coli) References: UniProt: Q99W31, UniProt: A0A0H3JTP0*PLUS, pyridoxal kinase
#2: Chemical	ChemComp-UEG / 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol Mass: 169.178 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₈H₁₁NO₃
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: SO₄
#4: Chemical	ChemComp-PXL / 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE / PYRIDOXAL Mass: 167.162 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₈H₉NO₃
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 306 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y
Sequence details	FIRST AMINO ACID IS A GLY INSTEAD OF MET DUE TO REMOVAL OF THE AFFINITY TAG

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.28 Å³/Da / Density % sol: 45 % / Description: NONE
Crystal grow	Details: 50MM HEPES PH 7.6, 2M NH4SO4

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1
Detector	Type: DECTRIS PILATUS / Detector: PIXEL / Date: Jul 18, 2013
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.85→43.81 Å / Num. obs: 90725 / % possible obs: 99.4 % / Observed criterion σ(I): 1 / Redundancy: 4.5 % / R_merge(I) obs: 0.15 / Net I/σ(I): 11.65
Reflection shell	Resolution: 1.85→1.92 Å / Redundancy: 4.3 % / R_merge(I) obs: 1.39 / Mean I/σ(I) obs: 1.1 / % possible all: 97

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Processing

Software

Name	Version	Classification
REFMAC	5.7.0032	refinement
XDS		data reduction
XSCALE		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4C5J

4c5j

Resolution: 1.85→43.81 Å / Cor.coef. F_o:F_c: 0.93 / Cor.coef. F_o:F_c free: 0.904 / SU B: 10.071 / SU ML: 0.153 / Cross valid method: THROUGHOUT / ESU R: 0.178 / ESU R Free: 0.162 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.27485	4567	5 %	RANDOM
R_work	0.2341	-	-	-
obs	0.23614	86158	99.32 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 29.128 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	2.67 Å²	-0 Å²	-0.57 Å²
2-	-	-1.56 Å²	0 Å²
3-	-	-	-1.11 Å²

Refinement step

Cycle: LAST / Resolution: 1.85→43.81 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8037	0	68	306	8411

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.011	0.019	8302
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	7868
X-RAY DIFFRACTION	r_angle_refined_deg	1.423	1.971	11274
X-RAY DIFFRACTION	r_angle_other_deg	0.763	3	18151
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.304	5	1078
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.277	26.019	319
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.244	15	1369
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	26.823	15	8
X-RAY DIFFRACTION	r_chiral_restr	0.077	0.2	1304
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.02	9415
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	1722
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	0	0.2	4297
X-RAY DIFFRACTION	r_mcbond_other	0	0.2	4296
X-RAY DIFFRACTION	r_mcangle_it	0	0.3	5353
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	0.401	0.234	4005
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other
X-RAY DIFFRACTION	r_long_range_B_refined
X-RAY DIFFRACTION	r_long_range_B_other
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 1.85→1.898 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.443	328	-
R_work	0.384	6223	-
obs	-	-	97.35 %

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	2.1046	0.2091	-0.3727	1.6805	0.291	2.0551	0.0189	-0.2085	-0.1703	0.1939	-0.0156	0.0681	0.2485	-0.0572	-0.0033	0.2278	-0.0275	0.0166	0.1394	-0.0018	0.1677	-16.3971	1.8661	-20.9706
2	2.8281	-0.2177	-0.8801	3.8369	-0.0797	7.3628	-0.0069	-0.2713	0.0295	0.3639	-0.0135	0.1941	-0.1896	-0.3385	0.0204	0.2087	-0.1022	0.0109	0.2149	-0.012	0.2231	-25.6501	-6.4398	-18.9561
3	26.0386	0.7084	5.815	15.2207	4.3635	24.3636	-0.1195	-0.0359	-0.7801	-0.0808	-0.1153	-0.7112	-0.1619	0.5574	0.2348	0.273	0.0527	0.0169	0.3113	0.0588	0.4255	-5.4059	-10.6849	-21.5939
4	1.039	-0.0497	-0.9008	8.1768	-17.481	38.3554	-0.2544	-1.1096	-0.3503	-0.005	-0.6658	-0.2727	0.3351	2.5286	0.9202	0.8176	0.37	-0.1701	1.2691	0.2994	0.7599	-17.9532	-17.4553	-11.9759
5	3.3263	-0.1546	0.5422	5.1787	1.1505	5.9007	0.1256	-0.1325	-0.4318	0.0434	-0.0745	0.0093	0.8645	0.1778	-0.0511	0.2674	-0.0648	-0.0108	0.2089	0.031	0.2417	-20.8389	-20.4765	-24.5786
6	3.5069	2.0619	-4.6936	9.5834	-0.2244	10.0769	-0.0394	0.0602	-0.1826	0.0288	-0.0334	-0.5391	0.4843	0.4628	0.0728	0.3993	0.0149	-0.0812	0.2574	-0.0226	0.2018	-17.813	-19.3294	-36.1963
7	36.2634	11.3158	21.888	24.2316	3.868	17.8225	0.1628	1.6352	-1.7629	-1.0733	1.4164	0.0084	1.0975	1.4699	-1.5792	0.5043	0.0129	0.02	0.3626	-0.0722	0.4819	-0.1929	-9.6145	-35.6331
8	5.4498	0.6591	-0.1625	2.2372	0.1691	1.366	0.0514	0.2472	-0.2801	-0.0989	-0.0516	-0.0038	0.4255	-0.0235	0.0003	0.3473	-0.0278	-0.0002	0.1395	-0.0189	0.1509	-15.386	-6.6211	-36.1346
9	3.2004	1.8302	1.4854	1.7442	1.8849	2.9765	0.1054	0.3355	-0.2599	-0.0451	0.1048	-0.2447	0.4708	0.2466	-0.2102	0.5134	0.1212	0.0037	0.2533	0.0019	0.2025	-6.676	-6.4646	-37.3923
10	2.6485	0.6022	-0.5735	2.3927	-0.3766	1.6577	-0.0469	0.1269	0.0808	-0.4087	0.0367	0.2397	0.1174	-0.2638	0.0101	0.3077	-0.0652	-0.0492	0.1616	-0.0029	0.1303	-23.3192	3.2807	-68.6538
11	7.9434	-1.7791	0.093	4.5122	-0.4482	2.5417	-0.1741	-0.3204	0.035	0.1265	0.0986	-0.1089	0.3244	0.0334	0.0755	0.2532	0.0019	-0.0175	0.1577	0.0074	0.1224	-15.792	1.111	-54.308
12	2.0946	-1.474	0.1448	7.1472	-0.7782	2.862	0.0126	-0.3338	-0.1095	0.1119	0.1052	0.7464	0.1605	-0.3613	-0.1179	0.1482	-0.0837	-0.0073	0.2952	0.0193	0.3087	-31.1838	-3.0288	-59.3043
13	19.7389	-5.6478	8.2006	11.8959	-2.7502	3.4546	-0.3757	-0.0809	0.4888	0.5618	0.1565	-1.144	-0.1318	0.0786	0.2192	0.4347	-0.0124	-0.0175	0.5157	-0.0102	0.3073	-19.2843	-16.8296	-52.9484
14	3.479	0.2939	0.1193	5.3475	0.7585	5.0929	-0.2066	-0.0274	-0.2671	-0.2231	0.0889	0.1866	0.4309	0.181	0.1177	0.2455	-0.1099	-0.0023	0.2327	0.0378	0.2565	-26.3414	-20.031	-64.6486
15	28.1549	-8.5062	3.8115	2.7318	-0.1473	7.0023	0.4527	-0.0401	-0.8963	-0.2399	0.1653	0.1547	-0.0728	1.2635	-0.618	0.9232	-0.1589	0.2483	0.723	0.0558	0.8749	-13.7116	-20.8985	-75.6655
16	11.1896	4.2132	0.298	8.6209	-0.1068	3.0829	-0.2033	0.6788	-0.3416	-0.5339	0.095	-0.4442	0.5461	-0.0429	0.1084	0.5213	-0.0919	-0.0633	0.2756	-0.0627	0.2717	-23.1258	-18.8924	-78.2748
17	4.0766	1.2877	0.2316	3.3143	-0.1081	1.3924	-0.1833	0.3102	-0.2046	-0.7126	0.1813	-0.0607	0.4351	0.0021	0.002	0.5701	-0.0901	0.0031	0.2001	-0.0161	0.1076	-17.3455	-5.1996	-76.2414
18	8.7781	16.0249	-8.25	41.8861	-17.6857	8.3015	-0.3535	0.3164	-0.7343	-0.3182	-0.1597	-0.5957	0.2804	-0.1451	0.5132	0.5611	-0.0686	-0.0317	0.3793	-0.0868	0.2347	-23.6969	-19.2769	-84.0797
19	1.4865	0.3195	0.3997	2.6945	-0.1438	3.4472	-0.0883	0.0432	0.0822	-0.3139	0.0592	0.1129	-0.066	-0.1582	0.0291	0.2624	-0.0274	-0.0482	0.1214	0.0203	0.1332	-17.8898	11.3094	-64.6955
20	12.2106	-5.3581	-3.1102	5.5049	2.5487	4.745	0.0014	-0.623	0.2062	0.3265	0.0375	-0.2377	-0.1572	0.1317	-0.0388	0.2638	-0.0354	-0.0416	0.1558	0.0175	0.1317	-13.3686	10.3303	-51.3184
21	1.6871	0.3852	0.4303	5.3285	0.2983	4.8313	0.0325	-0.1881	0.1107	0.0106	0.0109	-0.5609	-0.1052	0.3819	-0.0434	0.1315	-0.0419	-0.0002	0.1996	0.0346	0.2576	-5.1749	16.2097	-60.4204
22	20.9758	15.1721	6.4503	11.5394	1.7451	18.5009	-0.4385	-0.7049	1.5488	0.0486	-0.262	1.2696	-2.3921	-0.6686	0.7004	0.6457	0.2856	0.0177	0.6177	0.0622	0.9014	-20.0928	26.6577	-55.4566
23	21.099	-3.1854	-2.2317	12.5646	0.1611	9.3077	-0.353	-0.9249	0.7406	0.6335	0.1885	-0.0871	-0.9907	0.1201	0.1646	0.3197	-0.0865	-0.0412	0.2636	-0.0116	0.2656	-6.9046	28.0716	-53.2082
24	3.5394	-1.0277	1.6186	4.9745	-0.1752	4.821	-0.1309	0.0346	0.466	-0.2378	-0.112	-0.082	-0.763	-0.2233	0.2429	0.2154	-0.0322	0.0446	0.2126	0.0328	0.342	-12.5692	34.6498	-67.5891
25	4.2231	0.8335	-0.3832	4.8789	-1.7545	3.8207	0.0797	0.2956	0.4712	-0.4718	0.1074	0.6882	-0.3159	-0.4567	-0.1871	0.4447	-0.0182	-0.0732	0.2284	0.0512	0.2613	-18.6902	22.0958	-74.0446
26	15.0931	3.3872	3.834	7.2288	-0.0631	2.4881	-0.0642	0.4515	0.9799	-0.5399	0.0909	0.0504	0.0219	0.0751	-0.0267	0.4632	-0.0096	-0.006	0.1962	0.0807	0.1757	-13.8089	24.5641	-78.292
27	1.2395	0.4253	-0.1473	2.8149	-0.9428	2.0984	0.1215	0.5205	0.4147	-0.5341	0.1458	0.3818	-0.1729	-0.4909	-0.2673	0.5387	0.0733	-0.139	0.4126	0.1323	0.4047	-26.1167	21.0176	-76.0467
28	1.2162	0.3023	1.1351	3.3644	-0.6455	1.3275	0.039	0.0296	-0.0055	0.1555	-0.0918	-0.2727	-0.013	0.0855	0.0529	0.0098	-0.0126	0.0078	0.1884	-0.0171	0.2149	-8.7583	11.03	-26.0453
29	5.1002	-2.0461	-2.1258	8.4359	0.8177	0.8873	0.039	-0.0619	-0.021	-0.4958	-0.061	-0.1378	-0.0045	0.0396	0.022	0.1022	0.0174	0.0123	0.2039	0.0082	0.1913	-6.3045	8.9174	-32.5357
30	6.9034	-2.2584	-0.7161	2.9358	0.4824	2.0357	-0.0216	-0.5074	0.1866	0.3745	0.0786	-0.1321	0.0219	-0.0085	-0.057	0.2576	-0.0126	-0.0208	0.187	0.0085	0.1406	-11.9686	10.2058	-13.4441
31	1.6277	0.7966	0.8156	5.5605	-0.6281	4.7318	0.0638	-0.5971	0.3055	0.6323	-0.013	-0.153	-0.3157	0.0358	-0.0508	0.1435	-0.0572	0.0192	0.3439	-0.0817	0.3234	-3.2532	23.378	-17.3836
32	8.3621	-0.9105	3.4634	4.7022	0.0979	6.1983	-0.0146	-0.0756	0.6644	-0.0414	-0.06	0.1757	-0.6633	-0.4689	0.0747	0.256	-0.0281	0.0648	0.2204	0.0117	0.4714	-7.9269	36.465	-27.2665
33	17.5605	16.1466	-6.68	14.8503	-6.1466	2.564	0.0757	0.202	0.9967	0.0184	0.2444	0.9435	0.0011	-0.1725	-0.3201	0.5349	-0.0222	0.0252	0.4527	0.0409	0.54	-19.0432	30.0843	-35.9923
34	8.2431	0.2155	-0.3295	3.7833	-0.3408	2.2258	0.3298	0.1367	0.4721	-0.2021	-0.1196	-0.245	-0.3112	0.1436	-0.2103	0.2301	-0.0441	0.0088	0.1307	0.0129	0.2286	-6.3426	21.0637	-32.5546
35	3.9505	-0.3868	-1.4974	2.4735	-0.1546	1.4669	0.0602	0.0267	0.2489	-0.1534	-0.0954	0.1384	-0.3307	-0.1311	0.0352	0.2468	0.0192	-0.0242	0.1627	-0.0099	0.1337	-19.8116	19.6863	-32.9031
36	5.1516	8.4812	2.4376	16.7692	4.6281	1.7762	-0.1596	0.3978	0.5612	-0.2233	0.2021	0.4653	-0.4104	0.0861	-0.0425	0.3913	0.0068	0.0259	0.2856	0.0509	0.3036	-13.5793	27.0578	-41.0886

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 81
2	X-RAY DIFFRACTION	2	A	82 - 108
3	X-RAY DIFFRACTION	3	A	109 - 115
4	X-RAY DIFFRACTION	4	A	116 - 123
5	X-RAY DIFFRACTION	5	A	124 - 172
6	X-RAY DIFFRACTION	6	A	173 - 203
7	X-RAY DIFFRACTION	7	A	204 - 208
8	X-RAY DIFFRACTION	8	A	209 - 249
9	X-RAY DIFFRACTION	9	A	250 - 276
10	X-RAY DIFFRACTION	10	B	1 - 34
11	X-RAY DIFFRACTION	11	B	35 - 64
12	X-RAY DIFFRACTION	12	B	65 - 107
13	X-RAY DIFFRACTION	13	B	108 - 123
14	X-RAY DIFFRACTION	14	B	124 - 176
15	X-RAY DIFFRACTION	15	B	177 - 188
16	X-RAY DIFFRACTION	16	B	189 - 207
17	X-RAY DIFFRACTION	17	B	208 - 269
18	X-RAY DIFFRACTION	18	B	270 - 276
19	X-RAY DIFFRACTION	19	C	1 - 50
20	X-RAY DIFFRACTION	20	C	51 - 65
21	X-RAY DIFFRACTION	21	C	66 - 107
22	X-RAY DIFFRACTION	22	C	108 - 119
23	X-RAY DIFFRACTION	23	C	120 - 128
24	X-RAY DIFFRACTION	24	C	129 - 199
25	X-RAY DIFFRACTION	25	C	200 - 228
26	X-RAY DIFFRACTION	26	C	229 - 243
27	X-RAY DIFFRACTION	27	C	244 - 276
28	X-RAY DIFFRACTION	28	D	1 - 27
29	X-RAY DIFFRACTION	29	D	28 - 35
30	X-RAY DIFFRACTION	30	D	36 - 71
31	X-RAY DIFFRACTION	31	D	72 - 149
32	X-RAY DIFFRACTION	32	D	150 - 197
33	X-RAY DIFFRACTION	33	D	198 - 208
34	X-RAY DIFFRACTION	34	D	209 - 233
35	X-RAY DIFFRACTION	35	D	234 - 264
36	X-RAY DIFFRACTION	36	D	265 - 276

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