PDB-4gze: Crystal structure of 6-phospho-beta-glucosidase from Lactobacillu...

ID or keywords:

Entry

Database: PDB / ID: 4gze

Title

Crystal structure of 6-phospho-beta-glucosidase from Lactobacillus plantarum (apo form)

Components

6-phospho-beta-glucosidase

Keywords

HYDROLASE / Structural Genomics / PSI-Biology / Midwest Center for Structural Genomics / MCSG / glycoside hydrolase / family 1

Function / homology

Function and homology information

6-phospho-beta-glucosidase / 6-phospho-beta-glucosidase activity / : / carbohydrate metabolic process
Similarity search - Function

Biological species

Lactobacillus plantarum (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.31 Å

Authors

Michalska, K. / Hatzos-Skintges, C. / Bearden, J. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)

Citation

Journal: Acta Crystallogr.,Sect.D / Year: 2013
Title: GH1-family 6-P-beta-glucosidases from human microbiome lactic acid bacteria.
Authors: Michalska, K. / Tan, K. / Li, H. / Hatzos-Skintges, C. / Bearden, J. / Babnigg, G. / Joachimiak, A.

History

Deposition	Sep 6, 2012	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 26, 2012	Provider: repository / Type: Initial release
Revision 1.1	Feb 27, 2013	Group: Database references
Revision 1.2	Jan 15, 2014	Group: Database references
Revision 1.3	Sep 13, 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_conn / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.4	Dec 6, 2023	Group: Data collection / Category: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4gze.cif.gz	1.1 MB	Display	PDBx/mmCIF format
PDB format	pdb4gze.ent.gz	955.2 KB	Display	PDB format
PDBx/mmJSON format	4gze.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	4gze_validation.pdf.gz	479.1 KB	Display	wwPDB validaton report
Full document	4gze_full_validation.pdf.gz	497.3 KB	Display
Data in XML	4gze_validation.xml.gz	96.4 KB	Display
Data in CIF	4gze_validation.cif.gz	135.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/gz/4gze ftp://data.pdbj.org/pub/pdb/validation_reports/gz/4gze	HTTPS FTP

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Related structure data

Related structure data	3qomSC 4f66C 4f79C 4gpnC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	3qom-1 2xhy-2 5oke-2 4ze4-d 4f66-d 2xhy-1 5bwf-d 5okq-d 4ze5-1 4rsc-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) 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: MCSG-APC100114

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: 6-phospho-beta-glucosidase

B: 6-phospho-beta-glucosidase

C: 6-phospho-beta-glucosidase

D: 6-phospho-beta-glucosidase

E: 6-phospho-beta-glucosidase

F: 6-phospho-beta-glucosidase

hetero molecules

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

1

A: 6-phospho-beta-glucosidase

B: 6-phospho-beta-glucosidase

hetero molecules

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

2

C: 6-phospho-beta-glucosidase

D: 6-phospho-beta-glucosidase

hetero molecules

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

3

E: 6-phospho-beta-glucosidase

F: 6-phospho-beta-glucosidase

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

Unit cell

Length a, b, c (Å)	96.086, 96.086, 289.140
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	144
Space group name H-M	P3₁

#1: Protein	6-phospho-beta-glucosidase Mass: 55805.398 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lactobacillus plantarum (bacteria) / Strain: WCFS1 / Gene: lp_0440, pbg1 / Plasmid: pMCSG9 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 Magic / References: UniProt: F9UU25, 6-phospho-beta-glucosidase
#2: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Cl
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 547 / 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: 2.3 Å³/Da / Density % sol: 46.56 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.6 M NaCl, 0.1 M MES/NaOH, 20% PEG4000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 19-BM / Wavelength: 0.9794 Å

Detector

Type: ADSC QUANTUM 210r / Detector: CCD / Date: Nov 24, 2010 / Details: mirrors

Radiation

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

Radiation wavelength

Wavelength: 0.9794 Å / Relative weight: 1

Reflection twin

Crystal-ID	ID	Operator	Domain-ID	Fraction
1	1	1.000H, 1.000K, L	1	0.718
1	1	1.000K, 1.000H, -L	2	0.282

Reflection

Resolution: 2.31→50 Å / Num. all: 130885 / Num. obs: 130353 / % possible obs: 99.6 % / Observed criterion σ(I): -3 / Redundancy: 4.4 % / B_iso Wilson estimate: 45.2 Å² / R_merge(I) obs: 0.079 / Net I/σ(I): 21.8

Reflection shell

Resolution: 2.31→2.35 Å / Redundancy: 2.8 % / R_merge(I) obs: 0.285 / Mean I/σ(I) obs: 2.75 / Num. unique all: 6313 / % possible all: 96.7

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Processing

Software

Name	Version	Classification
SBC-Collect		data collection
PHASER		phasing
REFMAC	5.5.0109	refinement
HKL-3000		data reduction
HKL-3000		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB entry 3QOM

3qom

Resolution: 2.31→30 Å / Cor.coef. F_o:F_c: 0.959 / Cor.coef. F_o:F_c free: 0.946 / SU B: 7.819 / SU ML: 0.089 / Isotropic thermal model: isotropic / Cross valid method: THROUGHOUT / ESU R: 0.072 / ESU R Free: 0.045 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.21338	1248	1 %	thin resolution shells
R_work	0.17384	-	-	-
all	0.17421	130248	-	-
obs	0.17421	130248	99.41 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 33.569 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	25.09 Å²	0 Å²	0 Å²
2-	-	25.09 Å²	0 Å²
3-	-	-	-50.17 Å²

Refinement step

Cycle: LAST / Resolution: 2.31→30 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	23021	0	12	547	23580

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.013	0.022	23683
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	15869
X-RAY DIFFRACTION	r_angle_refined_deg	1.309	1.929	32117
X-RAY DIFFRACTION	r_angle_other_deg	0.859	3	38323
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.422	5	2832
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.38	24.033	1262
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.466	15	3761
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	17.232	15	131
X-RAY DIFFRACTION	r_chiral_restr	0.082	0.2	3290
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.02	26867
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	5261
X-RAY DIFFRACTION	r_mcbond_it	0.466	1.5	14087
X-RAY DIFFRACTION	r_mcbond_other	0.127	1.5	5803
X-RAY DIFFRACTION	r_mcangle_it	0.805	2	22596
X-RAY DIFFRACTION	r_scbond_it	1.497	3	9596
X-RAY DIFFRACTION	r_scangle_it	2.19	4.5	9521

LS refinement shell

Resolution: 2.309→2.369 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.273	66	-
R_work	0.21	9004	-
obs	-	-	94.66 %

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	3.0704	2.483	1.7422	4.5491	2.3257	3.5379	0.045	-0.1436	0.1513	-0.1537	-0.2229	0.0862	-0.2532	0.0415	0.1779	0.0542	0.0184	0.0346	0.0635	0.0533	0.1438	50.5929	-23.4637	18.871
2	1.0706	0.4078	0.114	2.5678	-0.1611	1.3761	0.0316	0.1984	-0.0316	-0.0744	0.0468	0.1752	0.0823	-0.0248	-0.0784	0.0798	0.0452	-0.016	0.0735	-0.0319	0.1426	44.3457	-36.0504	9.3456
3	1.4136	0.6018	-0.0663	1.8022	-0.4741	0.7308	0.0609	0.1818	-0.2089	-0.1304	-0.0449	-0.0443	0.1862	0.0812	-0.016	0.1376	0.0606	-0.0182	0.049	-0.0456	0.155	47.5741	-47.1957	19.1891
4	0.5109	-0.3839	-0.5059	1.1224	0.691	1.8565	0.011	0.0139	-0.0705	-0.0326	-0.0388	0.1203	0.1912	-0.0322	0.0278	0.0536	0.0045	-0.0166	0.0027	-0.0036	0.1423	40.1194	-39.611	34.2341
5	1.3053	0.095	-0.386	1.985	0.0543	1.6684	-0.0201	-0.025	-0.1703	-0.0108	-0.023	0.0889	0.1814	-0.0476	0.0431	0.0509	0.0106	-0.0367	0.0167	-0.0288	0.0973	41.5489	-40.3256	36.8949
6	4.5656	2.3942	-0.9376	9.5469	0.1938	2.7091	-0.1292	0.1574	0.1562	-0.0935	0.1362	0.7883	0.0265	-0.3604	-0.007	0.0198	0.0336	-0.0276	0.1459	-0.0224	0.1661	27.6643	-26.2804	37.943
7	0.6875	-0.3379	0.2509	0.383	-0.3854	2.3895	0.08	0.108	0.1638	-0.0706	-0.0684	0.0153	-0.1526	0.0385	-0.0116	0.0843	-0.0109	-0.0092	0.039	0.0029	0.1999	44.5343	-18.1875	25.4945
8	2.2617	0.57	0.7041	1.8109	0.2877	2.4446	0.0168	0.1195	0.0341	-0.0792	-0.0278	0.1212	-0.2036	-0.0758	0.011	0.0715	0.0464	0.0167	0.0382	0.0196	0.1599	42.5347	-18.8675	10.523
9	2.1164	1.0758	0.3008	2.1718	0.7715	1.7966	-0.0372	0.0474	0.1818	0.0806	0.0686	0.1466	-0.0262	0.041	-0.0314	0.0765	0.0251	0.0192	0.0221	0.0286	0.1527	49.1937	-29.1352	74.5432
10	5.6129	1.6151	0.0214	6.5287	1.0541	3.1273	-0.6296	-0.1068	1.3678	0.0649	0.3129	0.3296	-0.6644	-0.3101	0.3168	0.4101	0.0444	-0.0586	0.2654	-0.0649	0.5976	52.3819	-7.5227	78.4071
11	1.6921	0.8193	-0.3103	1.3969	-0.4816	1.1461	-0.0149	-0.1075	-0.0247	0.1665	0.0197	-0.1362	0.0358	0.2097	-0.0049	0.0784	0.0203	-0.0511	0.0926	-0.0224	0.1704	60.6621	-28.8715	76.7806
12	0.9834	-0.3531	0.6159	0.7358	-0.5845	1.4891	0.0112	-0.045	0.0736	-0.0064	-0.0254	-0.0615	-0.1561	0.2449	0.0142	0.0459	-0.0362	0.0043	0.0819	-0.0309	0.1632	55.8954	-21.3953	57.0649
13	0.7464	0.5901	0.3706	1.5186	-0.555	1.2827	-0.0323	0.0176	0.1046	-0.0744	-0.0256	-0.1598	-0.1559	0.2113	0.0579	0.1196	-0.0693	0.041	0.0714	-0.0677	0.2129	57.1462	-20.5489	51.9634
14	9.697	0.9718	0.0996	4.4809	0.4191	1.2763	0.1375	0.0241	-0.1196	0.2797	-0.0319	-0.0007	-0.5908	-0.2566	-0.1056	0.329	0.1378	0.0268	0.1031	-0.0731	0.1839	38.735	-12.5954	54.8721
15	0.9624	0.1193	-0.7403	0.4839	-0.0739	2.3037	-0.0529	-0.0978	0.069	0.1414	0.0128	0.1194	0.0043	-0.1121	0.04	0.0641	0.0072	-0.01	0.0502	0.0064	0.1654	38.523	-31.7808	65.2283
16	1.2283	0.5154	0.0556	2.9904	1.4947	2.5528	-0.0606	-0.0202	0.0985	0.0961	0.0551	0.1313	-0.024	-0.0802	0.0055	0.0576	0.0456	-0.0121	0.0908	0.024	0.1557	38.9479	-29.383	80.2467
17	3.7532	-3.0574	-1.8484	4.4779	2.5772	3.2174	0.2033	0.1168	0.0953	-0.1607	-0.1302	-0.0637	-0.2637	-0.077	-0.0731	0.073	-0.0387	-0.0155	0.0484	0.0288	0.1147	-2.0659	7.098	60.2196
18	1.8856	-0.347	0.1293	1.0188	0.3236	1.3838	0.0126	0.0453	-0.1245	-0.1683	0.0756	-0.0862	0.0368	0.2001	-0.0882	0.062	-0.0157	0.0269	0.121	-0.0266	0.1422	7.9285	-1.8565	52.4773
19	1.8704	-1.1187	0.1635	1.8565	-0.0348	0.9685	-0.026	0.0705	0.0178	-0.1347	0.0328	-0.2547	0.0177	0.3069	-0.0067	0.0213	-0.0119	0.0329	0.2007	-0.0543	0.1505	18.1781	-2.0308	63.6277
20	0.8582	-0.0614	-0.5384	0.4909	-0.3809	1.5967	-0.0049	0.0031	-0.1119	0.0026	-0.0367	-0.1199	0.1722	0.2899	0.0416	0.0467	0.038	-0.0041	0.0875	-0.0443	0.1528	8.6469	-7.4201	77.5399
21	8.6123	-3.1276	-0.2367	4.3067	0.5563	0.6928	0.3149	0.451	0.0635	-0.3256	-0.2851	0.3554	0.4278	-0.0337	-0.0298	0.3899	0.0073	-0.0421	0.0505	-0.0774	0.2569	-9.5658	-15.5705	77.4794
22	0.5453	-0.2442	0.6778	0.2354	-0.3427	4.3378	0.0401	0.0302	0.0086	-0.0811	0.0044	0.003	0.1403	-0.0458	-0.0445	0.0392	-0.0113	0.0158	0.0085	-0.0147	0.1209	-6.8013	1.7154	70.7238
23	1.7416	0.5105	1.1196	1.2478	2.5182	6.4134	-0.1163	-0.0348	0.0015	-0.1658	-0.1078	0.2495	-0.2636	-0.2364	0.2241	0.0669	0.0051	-0.0309	0.0313	0.0056	0.1515	-14.7337	5.5689	64.292
24	0.9373	0.6721	-0.0467	0.7319	0.2305	2.2038	-0.0001	0.0111	-0.0566	-0.1085	0.0586	0.0255	0.0258	-0.0279	-0.0586	0.0883	-0.0023	-0.0233	0.0518	0.0067	0.1237	-8.4018	1.9529	53.7373
25	3.3516	-0.356	0.8389	1.164	0.1822	1.2789	-0.0799	0.0789	0.3766	0.0875	0.0724	-0.1436	-0.0892	0.0808	0.0075	0.1286	0.008	0.0242	0.0148	0.0249	0.1815	7.2474	5.6577	22.0778
26	3.0184	0.0148	-0.184	1.017	-0.0235	0.8697	0.019	-0.0915	-0.0829	0.0997	-0.0144	0.0002	0.1142	-0.034	-0.0046	0.1329	0.0175	-0.0424	0.0119	0.0036	0.0968	6.7805	-5.997	25.9376
27	4.9177	2.2588	-2.5631	2.8122	-1.8292	2.4301	-0.0459	0.0246	-0.1856	0.1455	-0.0388	-0.159	0.2102	0.1728	0.0846	0.125	0.0595	-0.0481	0.0472	0.0027	0.1247	18.5667	-11.0749	16.3365
28	0.5272	-0.3029	0.0847	0.8228	-0.7038	1.6134	0.0019	-0.0213	0.009	0.0362	-0.0343	-0.1242	0.0187	0.1366	0.0324	0.0403	0.0204	-0.0216	0.0223	-0.0046	0.1292	13.3328	0.4286	2.9418
29	2.1677	-0.2554	-0.2784	2.3416	-0.7994	1.5356	0.0119	0.0633	0.0235	-0.1173	-0.0358	-0.2451	0.0777	0.25	0.0239	0.0722	0.0231	-0.0471	0.0562	-0.0208	0.0794	14.6273	-0.4168	-1.7725
30	13.4629	-2.0931	2.744	4.7136	-1.6881	2.4854	0.0157	-0.2928	0.5986	-0.0478	-0.0078	-0.1338	-0.2955	-0.0561	-0.0079	0.1699	-0.0159	-0.0196	0.0157	-0.0279	0.1752	8.7084	18.4905	-1.9115
31	0.4971	-0.0998	-0.0632	0.6723	0.7092	2.2422	0.0276	0.0287	0.1269	0.0837	-0.0049	0.0494	-0.1135	-0.1502	-0.0226	0.0815	0.0288	-0.0037	0.0179	0.0168	0.1632	-5.3517	8.195	12.2303
32	0.597	0.0464	0.311	1.7083	0.6844	3.0698	-0.0345	0.0395	0.0734	0.0309	0.0743	0.0104	-0.2448	-0.1078	-0.0398	0.0945	0.0286	0.0374	0.0298	0.0134	0.1359	-7.3808	8.3712	25.8511
33	0.8259	-2.5008	2.0451	7.5964	-6.1766	5.083	0.1377	0.0596	-0.0147	-0.3519	-0.0324	-0.0097	0.254	0.2244	-0.1053	0.4702	-0.0829	0.048	0.6267	-0.2223	0.6193	47.0622	52.7456	72.5712
34	1.4467	0.888	-0.2891	1.4914	0.7338	0.9646	0.0568	-0.209	-0.1706	0.217	-0.0872	-0.0193	0.1368	0.1006	0.0303	0.1775	0.0162	0.0183	0.2232	-0.0442	0.2666	45.6232	22.7915	88.8821
35	1.6788	0.0856	0.3844	2.5704	0.279	1.5152	0.0071	-0.1781	-0.2787	0.21	0.0946	-0.1296	0.2507	0.0712	-0.1017	0.2029	0.0075	0.0425	0.2293	0.0384	0.2885	44.6741	18.7914	93.372
36	1.164	-0.1031	0.0188	1.2887	0.1488	0.9756	0.0186	-0.1447	-0.203	0.0554	-0.0226	0.0118	0.267	-0.0983	0.004	0.2435	-0.0361	0.0269	0.1892	0.0621	0.2953	41.0063	14.757	82.3065
37	1.3475	-0.1147	-0.567	0.7154	-0.4398	1.4091	-0.0048	0.0231	-0.265	-0.0945	-0.0691	0.053	0.2931	-0.1147	0.0739	0.2234	-0.0309	0.0099	0.1063	0.0137	0.2931	46.6974	15.2458	64.7195
38	5.3079	0.079	-1.9028	1.6519	0.2753	1.6842	0.065	-0.2369	-0.0759	0.072	-0.025	-0.4581	0.1023	0.4236	-0.04	0.2013	0.0185	-0.025	0.178	0.0941	0.2758	60.3665	25.6891	68.0956
39	0.6387	0.0869	-0.6181	0.6707	0.4212	2.5804	-0.0394	-0.2964	0.0245	0.0647	-0.0375	-0.1711	-0.0715	0.153	0.0769	0.1805	0.0084	0.0025	0.1636	0.0042	0.2736	52.9952	35.6629	78.9667
40	0.6985	-0.1732	0.669	0.4733	-0.7761	3.6587	0.0172	-0.1927	0.0367	0.0233	-0.0571	-0.0588	-0.0265	0.2173	0.0399	0.1442	-0.0319	0.0209	0.2132	-0.0308	0.3088	51.1974	35.8652	87.5074
41	9.6937	-5.7336	5.823	11.5345	-1.1603	6.2278	0.6155	-0.1589	-0.7331	0.2185	-0.1566	-0.0824	0.9532	0.4108	-0.4589	0.4246	-0.0635	0.1234	0.2712	0.0047	0.3918	53.2817	10.0339	40.3955
42	0.724	-0.1363	-0.1447	3.4391	-0.8815	1.0668	0.047	0.164	0.0945	-0.1361	-0.0281	-0.097	-0.0761	-0.1157	-0.019	0.1767	-0.0363	0.0159	0.2239	-0.0014	0.2827	47.3865	38.3732	20.3194
43	1.4958	-0.0614	0.301	1.8123	0.5473	1.3804	-0.0059	0.1795	0.0496	-0.14	-0.0522	0.3315	-0.0633	-0.267	0.0582	0.1445	-0.0196	-0.0029	0.29	0.027	0.29	34.628	38.4879	28.0984
44	0.8695	0.0212	0.4783	1.0474	0.353	1.4233	-0.0529	0.1156	0.1016	-0.0269	-0.028	0.1385	-0.1104	-0.2182	0.0808	0.1207	-0.0347	0.0214	0.1385	0.0264	0.2655	41.6927	39.9504	45.8919
45	6.1989	-2.7992	1.1758	6.2715	-0.9433	4.2902	0.0821	-0.1494	0.3205	0.0885	-0.0638	-0.444	-0.1449	0.2372	-0.0183	0.1539	-0.0906	0.0191	0.1181	0.0424	0.314	61.2454	42.9952	51.7602
46	16.9571	7.7863	7.6741	6.5692	3.144	3.5248	-0.2895	1.382	0.5864	-0.02	0.1345	0.1668	-0.1058	0.685	0.155	0.3722	-0.0473	0.0967	0.1922	-0.0119	0.4367	64.415	29.2953	42.8333
47	1.1697	-0.0834	-1.0037	0.3708	-0.3289	2.729	-0.1415	0.1859	-0.1401	-0.0149	0.0083	-0.1055	0.2494	-0.0721	0.1332	0.1894	-0.0617	0.0427	0.076	-0.0322	0.2907	55.5871	24.1049	36.9619
48	1.57	0.1209	-0.3292	2.7372	-0.4592	2.5552	-0.0698	0.1783	0.0594	-0.1201	0.01	-0.2043	0.1537	0.0927	0.0598	0.1507	-0.0519	0.0285	0.1841	-0.0287	0.2526	57.5318	27.0418	22.4801

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	0 - 29
2	X-RAY DIFFRACTION	2	A	30 - 134
3	X-RAY DIFFRACTION	3	A	135 - 176
4	X-RAY DIFFRACTION	4	A	177 - 286
5	X-RAY DIFFRACTION	5	A	287 - 326
6	X-RAY DIFFRACTION	6	A	327 - 343
7	X-RAY DIFFRACTION	7	A	344 - 425
8	X-RAY DIFFRACTION	8	A	426 - 478
9	X-RAY DIFFRACTION	9	B	2 - 45
10	X-RAY DIFFRACTION	10	B	46 - 57
11	X-RAY DIFFRACTION	11	B	58 - 171
12	X-RAY DIFFRACTION	12	B	172 - 282
13	X-RAY DIFFRACTION	13	B	283 - 326
14	X-RAY DIFFRACTION	14	B	327 - 350
15	X-RAY DIFFRACTION	15	B	351 - 425
16	X-RAY DIFFRACTION	16	B	426 - 478
17	X-RAY DIFFRACTION	17	C	2 - 29
18	X-RAY DIFFRACTION	18	C	30 - 137
19	X-RAY DIFFRACTION	19	C	138 - 181
20	X-RAY DIFFRACTION	20	C	182 - 320
21	X-RAY DIFFRACTION	21	C	321 - 350
22	X-RAY DIFFRACTION	22	C	351 - 386
23	X-RAY DIFFRACTION	23	C	387 - 416
24	X-RAY DIFFRACTION	24	C	417 - 478
25	X-RAY DIFFRACTION	25	D	0 - 65
26	X-RAY DIFFRACTION	26	D	66 - 142
27	X-RAY DIFFRACTION	27	D	143 - 171
28	X-RAY DIFFRACTION	28	D	172 - 283
29	X-RAY DIFFRACTION	29	D	284 - 326
30	X-RAY DIFFRACTION	30	D	327 - 343
31	X-RAY DIFFRACTION	31	D	344 - 437
32	X-RAY DIFFRACTION	32	D	438 - 478
33	X-RAY DIFFRACTION	33	E	1 - 6
34	X-RAY DIFFRACTION	34	E	7 - 42
35	X-RAY DIFFRACTION	35	E	49 - 110
36	X-RAY DIFFRACTION	36	E	111 - 202
37	X-RAY DIFFRACTION	37	E	203 - 308
38	X-RAY DIFFRACTION	38	E	309 - 352
39	X-RAY DIFFRACTION	39	E	353 - 402
40	X-RAY DIFFRACTION	40	E	403 - 478
41	X-RAY DIFFRACTION	41	F	1 - 12
42	X-RAY DIFFRACTION	42	F	13 - 85
43	X-RAY DIFFRACTION	43	F	86 - 166
44	X-RAY DIFFRACTION	44	F	167 - 319
45	X-RAY DIFFRACTION	45	F	320 - 342
46	X-RAY DIFFRACTION	46	F	343 - 355
47	X-RAY DIFFRACTION	47	F	356 - 426
48	X-RAY DIFFRACTION	48	F	427 - 478

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