PDB-4bnd: Structure of an atypical alpha-phosphoglucomutase similar to euka...

ID or keywords:

Entry

Database: PDB / ID: 4bnd

Title

Structure of an atypical alpha-phosphoglucomutase similar to eukaryotic phosphomannomutases

Components

(ALPHA-PHOSPHOGLUCOMUTASE) x 2

Keywords

ISOMERASE / SUBSTRATE SPECIFICITY / PHOSPHOGLUCOSE INTERCONVERSION

Function / homology

Function and homology information

phosphomannomutase / phosphomannomutase activity / GDP-mannose biosynthetic process / mannose metabolic process / protein N-linked glycosylation / phosphatase activity / metal ion binding / cytosol
Similarity search - Function

Biological species

LACTOCOCCUS LACTIS SUBSP. CREMORIS MG1363 (lactic acid bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 1.5 Å

Authors

Nogly, P. / Matias, P.M. / De Rosa, M. / Castro, R. / Santos, H. / Neves, A.R. / Archer, M.

Citation

Journal: Acta Crystallogr.,Sect.D / Year: 2013
Title: High-Resolution Structure of an Atypical [Alpha]-Phosphoglucomutase Related to Eukaryotic Phosphomannomutases
Authors: Nogly, P. / Matias, P.M. / De Rosa, M. / Castro, R. / Santos, H. / Neves, A.R. / Archer, M.

History

Deposition	May 14, 2013	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Oct 2, 2013	Provider: repository / Type: Initial release
Revision 1.1	Oct 16, 2013	Group: Database references
Revision 1.2	Nov 6, 2013	Group: Derived calculations
Revision 2.0	May 8, 2024	Group: Atomic model / Data collection ...Atomic model / Data collection / Database references / Derived calculations / Other / Refinement description Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / software / struct_site Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site_anisotrop.U[1][1] / _atom_site_anisotrop.U[1][2] / _atom_site_anisotrop.U[1][3] / _atom_site_anisotrop.U[2][2] / _atom_site_anisotrop.U[2][3] / _atom_site_anisotrop.U[3][3] / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _software.name / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4bnd.cif.gz	409.3 KB	Display	PDBx/mmCIF format
PDB format	pdb4bnd.ent.gz	344.1 KB	Display	PDB format
PDBx/mmJSON format	4bnd.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	4bnd_validation.pdf.gz	453.1 KB	Display	wwPDB validaton report
Full document	4bnd_full_validation.pdf.gz	455.2 KB	Display
Data in XML	4bnd_validation.xml.gz	27.1 KB	Display
Data in CIF	4bnd_validation.cif.gz	41.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/bn/4bnd ftp://data.pdbj.org/pub/pdb/validation_reports/bn/4bnd	HTTPS FTP

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Related structure data

Similar structure data	6uv0-1 5tkd-d 6nsl-d 2v27-d 6nzh-d 6j1p-d 6isq-d 2oqa-d 3cjq-2 2gfk-d 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: ALPHA-PHOSPHOGLUCOMUTASE

B: ALPHA-PHOSPHOGLUCOMUTASE

hetero molecules

57.5 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

B: ALPHA-PHOSPHOGLUCOMUTASE

hetero molecules

A: ALPHA-PHOSPHOGLUCOMUTASE

hetero molecules

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

2

Idetical with deposited unit
defined by software

Unit cell

Length a, b, c (Å)	67.174, 67.174, 210.394
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	152
Space group name H-M	P3₁21

Noncrystallographic symmetry (NCS)

NCS oper: (Code: given
Matrix: (0.8786, -0.1906, 0.4379), (-0.2971, 0.4997, 0.8136), (-0.3739, -0.8449, 0.3824)
Vector: 53.16, 46.29, 53.59)

#1: Protein	ALPHA-PHOSPHOGLUCOMUTASE Mass: 28429.162 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) LACTOCOCCUS LACTIS SUBSP. CREMORIS MG1363 (lactic acid bacteria) Plasmid: PNZ8048 Production host: LACTOCOCCUS LACTIS SUBSP. CREMORIS NZ9000 (lactic acid bacteria) References: UniProt: Q00G41, UniProt: A2RIP9*PLUS, phosphoglucomutase (alpha-D-glucose-1,6-bisphosphate-dependent)
#2: Protein	ALPHA-PHOSPHOGLUCOMUTASE Mass: 28371.061 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) LACTOCOCCUS LACTIS SUBSP. CREMORIS MG1363 (lactic acid bacteria) Plasmid: PNZ8048 Production host: LACTOCOCCUS LACTIS SUBSP. CREMORIS NZ9000 (lactic acid bacteria) References: UniProt: Q00G41, UniProt: A2RIP9*PLUS, phosphoglucomutase (alpha-D-glucose-1,6-bisphosphate-dependent)
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO₄
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 602 / 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 % / Description: NONE
Crystal grow	pH: 7.5 Details: SEEDING, 2.0 M AMMONIUM SULFATE, 0.1 M HEPES PH 7.5, 2% PEG 400

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-2 / Wavelength: 0.9334
Detector	Type: ADSC QUANTUM 210 / Detector: CCD / Date: Jul 12, 2008
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9334 Å / Relative weight: 1
Reflection	Resolution: 1.5→33 Å / Num. obs: 89350 / % possible obs: 100 % / Observed criterion σ(I): 3 / Redundancy: 8.3 % / B_iso Wilson estimate: 15 Å² / R_merge(I) obs: 0.08 / Net I/σ(I): 16.8
Reflection shell	Resolution: 1.5→1.58 Å / Redundancy: 8.2 % / R_merge(I) obs: 0.71 / Mean I/σ(I) obs: 3.1 / % possible all: 100

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Processing

Software

Name	Version	Classification
MOSFLM		data reduction
SCALA		data scaling
HKL2Map	FOLLOWED BY SHARP	phasing
PHASER		phasing
REFMAC	5.7.0029	refinement

Refinement

Method to determine structure:

SAD
Starting model: NONE

Resolution: 1.5→30.05 Å / Cor.coef. F_o:F_c: 0.972 / Cor.coef. F_o:F_c free: 0.965 / SU B: 2.329 / SU ML: 0.045 / Cross valid method: THROUGHOUT / σ(F): 3 / ESU R: 0.064 / ESU R Free: 0.065 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.18	4470	5.08 %	RANDOM
R_work	0.1558	-	-	-
obs	0.157	89249	99.95 %	-

Solvent computation

Ion probe radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL PLUS MASK

Displacement parameters

B_iso mean: 19.501 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.3 Å²	0.3 Å²	0 Å²
2-	-	0.3 Å²	0 Å²
3-	-	-	-0.975 Å²

Refinement step

Cycle: LAST / Resolution: 1.5→30.05 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3985	0	46	602	4633

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.016	0.019	4208
X-RAY DIFFRACTION	r_bond_other_d	0.003	0.02	4075
X-RAY DIFFRACTION	r_angle_refined_deg	1.759	1.964	5680
X-RAY DIFFRACTION	r_angle_other_deg	0.873	3	9328
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.508	5	507
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	35.126	26.698	215
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	12.838	15	768
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	12.196	15	7
X-RAY DIFFRACTION	r_chiral_restr	0.11	0.2	611
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.021	4747
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	888
X-RAY DIFFRACTION	r_nbd_refined	0.264	0.2	1638
X-RAY DIFFRACTION	r_nbd_other	0.182	0.2	79
X-RAY DIFFRACTION	r_nbtor_refined	0.184	0.2	2071
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.109	0.2	95
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	0.934	0.584	4208
X-RAY DIFFRACTION	r_mcbond_other	0.227	0.602	4074
X-RAY DIFFRACTION	r_mcangle_it	1.434	0.853	5679
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	2.676	1.779	523
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	8.876	8.804	3671
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: 1.5→1.539 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.25	343	-
R_work	0.244	6175	-
obs	-	-	100 %

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	8.7055	1.1151	-7.5599	3.2523	0.0111	22.3344	-0.0175	-0.6906	-0.2372	0.5015	-0.3293	0.0635	0.4475	0.1524	0.3467	0.1088	-0.0249	-0.0148	0.1901	0.0452	0.1064	11.927	66.052	8.736
2	1.9116	0.5851	0.3841	0.4329	0.197	0.751	-0.1318	0.0761	0.0031	-0.0113	0.0535	0.031	-0.061	0.1099	0.0784	0.0905	-0.0007	-0.032	0.1235	0.0324	0.1206	21.32	71.516	-5.699
3	1.242	-0.7368	-0.099	2.9153	-4.105	7.0106	-0.0692	-0.0185	0.0993	0.0277	-0.1833	-0.2279	0.0129	0.3092	0.2525	0.0791	0.0152	-0.0207	0.1891	0.0602	0.1303	31.535	70.956	-10.711
4	0.8688	0.0091	0.6519	0.3278	-0.3307	1.5154	0.0551	0.0145	-0.0595	-0.0333	-0.0264	0.0016	0.0946	0.1421	-0.0287	0.085	0.0515	-0.0189	0.103	0.0282	0.1292	21.088	63.417	-8.855
5	14.5374	-1.9437	0.6201	16.9876	9.1413	8.3456	0.272	-0.3422	-0.7918	0.017	-0.2862	0.2625	0.4833	0.0195	0.0141	0.1691	0.0853	-0.0324	0.0807	0.047	0.1812	16.103	51.261	-10.662
6	3.7538	-2.5731	2.81	2.6828	-2.0624	2.433	0.1398	0.0619	-0.177	-0.2021	0.031	0.0745	0.2499	0.0252	-0.1708	0.1066	0.0386	-0.024	0.0772	0.0037	0.1567	10.308	60.754	-17.019
7	2.7512	3.1572	-1.1684	5.5444	-2.0585	1.2548	-0.0967	0.231	0.0398	-0.1549	0.0766	0.079	0.0183	0.0428	0.0201	0.0798	-0.0137	-0.0166	0.13	0.052	0.1123	11.035	78.597	-30.433
8	3.7877	-4.3155	2.7676	6.9287	-5.3042	5.0929	0.0924	0.1389	0.2022	0.0216	-0.387	-0.2121	-0.126	0.4147	0.2946	0.1077	-0.1398	-0.071	0.2539	0.166	0.2088	22.63	87.78	-31.777
9	4.0096	0.9372	-0.2028	1.0535	-1.0401	1.6189	-0.1007	0.2633	0.0316	-0.0679	-0.0862	-0.0045	-0.0632	0.2807	0.1869	0.0998	-0.0124	-0.0209	0.189	0.0662	0.1131	23.379	76.23	-26.867
10	8.4214	2.2051	9.3619	8.4005	3.1505	19.4315	-0.2912	0.5473	-0.1902	-0.2969	0.5315	-0.0559	-0.2967	0.8186	-0.2403	0.0313	-0.0311	-0.0114	0.2096	0.0841	0.0856	31.683	75.364	-21.274
11	6.3172	-2.3416	2.5862	17.9633	-2.1284	1.1398	-0.9933	-0.0704	0.6699	-0.0766	0.73	0.2746	-0.3858	-0.0591	0.2632	0.2464	-0.1077	-0.1316	0.3316	0.1572	0.189	33.111	82.324	-17.961
12	16.5698	-12.9354	-6.5007	10.1167	5.5162	15.5471	-0.674	-0.343	0.2048	0.4919	0.2422	-0.1515	-0.4606	0.1079	0.4318	0.2176	-0.07	-0.1284	0.1564	0.0989	0.1222	26.159	89.034	-17.867
13	8.1103	1.3355	3.2034	6.1837	1.0445	1.447	-0.7159	0.0556	0.6434	0.3735	0.2816	0.0268	-0.4563	0.0196	0.4343	0.4225	0.0722	-0.2927	0.1848	0.0488	0.2715	17.642	90.299	-22.452
14	20.9718	2.002	-6.9526	7.3192	-0.7858	2.3337	-0.2562	-0.2004	0.7534	0.1263	0.4916	0.2929	-0.0003	0.008	-0.2354	0.2673	0.1382	-0.0995	0.2176	0.0716	0.1672	7.985	88.815	-28.496
15	10.6683	4.8887	1.6521	3.8431	-0.9769	2.3967	-0.0357	-0.0155	0.2833	0.0943	0.0869	0.075	-0.0624	-0.105	-0.0512	0.1018	0.0623	-0.0371	0.0775	0.0228	0.1427	9.758	82.723	-21.679
16	0.799	0.0939	-0.1019	0.17	-0.491	1.4711	-0.0544	0.043	0.0249	0.0548	-0.0224	-0.0079	-0.1901	0.0774	0.0768	0.1112	0.0178	-0.03	0.1013	0.0255	0.1576	12.314	77.706	-16.137
17	2.0729	1.0166	1.0274	1.0955	-0.0986	1.1689	-0.1081	-0.0997	0.1511	-0.0294	-0.0102	0.0966	-0.0631	-0.0472	0.1183	0.0867	0.031	-0.0233	0.0997	0.0141	0.1352	10.785	74.472	-3.516
18	0.968	0.5304	0.5343	0.3477	0.0902	1.2092	-0.0936	-0.1456	0.1534	-0.0371	-0.068	0.0759	-0.1492	0.0326	0.1617	0.109	0.0063	-0.0341	0.1305	0.0148	0.1515	19.483	77.92	-0.651
19	0.8168	1.7201	0.4939	4.648	-0.9409	4.3795	-0.0617	0.049	-0.0289	-0.0417	0.0968	-0.0426	-0.0721	0.109	-0.0351	0.0937	0.0057	-0.0303	0.1345	0.0256	0.1241	28.264	74.009	1.341
20	2.1905	1.1701	-1.036	4.774	1.2051	7.6664	0.0498	0.0366	-0.1125	0.2528	-0.0067	-0.0817	0.3176	-0.0395	-0.0431	0.1281	0.0076	-0.0515	0.0971	0.0339	0.1188	26.766	66.461	9.698
21	33.0973	4.2941	-4.6562	47.9202	3.7368	1.3213	-1.4591	0.4113	-2.4861	0.7286	0.9456	0.7089	0.5827	-0.4107	0.5136	0.5195	-0.4185	-0.0109	0.7342	-0.148	0.4934	-25.614	56.738	-19.455
22	2.8986	1.2386	1.5771	1.978	-0.0028	1.3691	-0.0432	-0.0519	-0.079	-0.0879	0.1069	-0.0987	0.006	-0.131	-0.0637	0.0961	0.0092	-0.0109	0.1213	0.0313	0.1194	-12.476	68.877	-15.67
23	2.0179	-2.6731	0.6544	6.9581	-1.0004	1.1289	-0.1451	-0.0469	0.0502	0.0714	0.1805	-0.1246	0.0008	0.0166	-0.0355	0.079	0.0329	-0.0223	0.0826	0.0171	0.1384	-2.19	70.165	-14.606
24	2.2284	1.5272	1.7323	3.2565	0.9716	1.6591	0.069	-0.0374	-0.0572	-0.1647	-0.0355	-0.1778	0.1705	-0.0722	-0.0334	0.1397	0.0033	-0.0111	0.1025	0.0101	0.1372	-7.58	59.04	-17.751
25	14.1261	-5.8727	0.0468	15.1386	-0.8881	0.1476	0.0688	0.2869	-0.586	-0.5503	0.0645	0.6077	0.1169	-0.0839	-0.1332	0.1824	-0.072	-0.1007	0.1347	0.0425	0.1719	-15.739	55.994	-22.857
26	0.8102	-0.1719	-0.4691	2.3257	-0.9808	1.1544	-0.0761	0.0501	0.0236	-0.1	0.0694	-0.1125	0.1678	0.0172	0.0067	0.1123	0.0264	-0.0084	0.0952	0.0048	0.1158	-7.376	68.65	-24.371
27	0.2627	-0.8128	0.1835	2.9023	-0.2683	1.5283	0.0138	-0.0054	0.0108	-0.1324	0.144	-0.0177	0.1042	-0.2363	-0.1578	0.1051	-0.0389	-0.018	0.1596	0.0467	0.1178	-15.127	76.209	-31.286
28	4.2688	2.9882	4.0673	3.191	1.6852	5.7912	-0.4272	0.0095	0.1924	-0.0799	0.2497	-0.1785	-0.5111	-0.2938	0.1774	0.2456	0.1513	-0.0784	0.1444	-0.0061	0.2812	-11.828	97.869	-16.705
29	8.0123	-5.6058	-4.7035	11.8246	8.4667	9.9285	0.0316	-0.1572	0.3961	0.1688	0.4326	-0.8029	-0.1842	0.3434	-0.4643	0.0606	-0.0121	-0.079	0.0245	0.0006	0.231	3.007	92.563	-15.324
30	1.2595	-0.4283	0.8654	0.5539	-0.1554	1.8709	-0.0551	0.0052	0.0844	0.0251	0.1022	-0.1332	-0.1151	-0.0609	-0.0471	0.0968	0.0497	-0.0168	0.0679	0.0123	0.1589	-5.663	86.278	-17.683
31	10.9616	-3.5305	0.4399	3.2506	-1.1538	2.879	-0.2922	-0.3717	0.1815	0.4875	0.3268	-0.2144	-0.258	-0.2955	-0.0346	0.1999	0.1486	-0.0378	0.1255	-0.0115	0.0744	-9.399	87.725	-4.218
32	2.8674	-1.4557	0.8136	11.3918	-1.0559	1.6782	-0.0167	-0.3297	0.0959	0.1985	0.2236	-0.0954	-0.1623	-0.6518	-0.207	0.1861	0.1404	0.0116	0.3027	0.0582	0.0868	-16.483	92.935	-9.197
33	8.3982	1.8407	3.4517	20.7434	-0.6346	15.2689	-0.1814	0.3346	0.3514	0.7774	0.2954	0.4747	-0.2693	-0.6911	-0.1139	0.2085	0.0228	-0.0517	0.3552	0.1013	0.1614	-20.313	98.508	-14.808
34	2.9599	-1.5048	1.4695	1.6267	-0.7719	1.3639	-0.1023	-0.1222	0.0454	0.1204	0.2055	0.0149	-0.1235	-0.2124	-0.1032	0.1133	0.1079	0.0128	0.1294	0.0564	0.1212	-17.847	88.363	-17.403
35	1.3789	-0.0035	0.537	3.9801	0.6132	0.4469	0.0143	-0.0975	-0.0003	0.063	0.0843	0.1156	0.0231	-0.2164	-0.0986	0.0986	-0.0236	-0.0062	0.2747	0.1394	0.1414	-24.442	75.637	-24.18
36	1.1465	0.0136	0.6109	0.8054	0.0731	4.6081	0.0273	-0.0424	-0.1241	-0.0522	0.1415	0.0696	0.1185	-0.1533	-0.1688	0.0816	-0.065	-0.0487	0.1217	0.0684	0.1094	-24.949	64.539	-20.407
37	10.2997	-7.9225	-2.0714	12.9938	2.7184	3.306	-0.2697	0.0441	0.1714	0.3053	0.2657	0.0424	0.0133	-0.2182	0.004	0.1039	0.0506	-0.0189	0.1295	0.0669	0.1027	-19.436	75.066	-7.478
38	1.6818	-0.5612	1.0046	0.7521	-0.4877	1.3562	-0.0129	0.0022	0.0685	0.0662	0.0971	-0.0263	0.0531	-0.2053	-0.0843	0.0751	0.0023	-0.0143	0.1403	0.0626	0.1208	-21.34	71.779	-10.62
39	0.6581	0.6768	0.0567	3.4117	1.0431	0.8438	-0.0192	0.073	-0.0134	-0.0118	0.0358	-0.0799	0.0805	0.0431	-0.0166	0.106	0.0132	-0.0277	0.0977	0.0225	0.1327	-10.971	59.309	-9.203
40	11.0732	-8.7751	-0.4138	19.023	11.6293	17.7819	-0.1165	0.4929	-0.055	-0.5719	0.2022	0.5917	0.5826	0.8754	-0.0856	0.2515	0.0008	-0.1039	0.1464	-0.0065	0.145	-15.251	47.456	-12.758

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	0 - 3
2	X-RAY DIFFRACTION	2	A	4 - 14
3	X-RAY DIFFRACTION	3	A	15 - 23
4	X-RAY DIFFRACTION	4	A	24 - 77
5	X-RAY DIFFRACTION	5	A	78 - 82
6	X-RAY DIFFRACTION	6	A	83 - 90
7	X-RAY DIFFRACTION	7	A	91 - 107
8	X-RAY DIFFRACTION	8	A	108 - 115
9	X-RAY DIFFRACTION	9	A	116 - 139
10	X-RAY DIFFRACTION	10	A	140 - 143
11	X-RAY DIFFRACTION	11	A	144 - 148
12	X-RAY DIFFRACTION	12	A	149 - 153
13	X-RAY DIFFRACTION	13	A	154 - 164
14	X-RAY DIFFRACTION	14	A	165 - 168
15	X-RAY DIFFRACTION	15	A	169 - 174
16	X-RAY DIFFRACTION	16	A	175 - 193
17	X-RAY DIFFRACTION	17	A	194 - 225
18	X-RAY DIFFRACTION	18	A	226 - 236
19	X-RAY DIFFRACTION	19	A	237 - 243
20	X-RAY DIFFRACTION	20	A	244 - 251
21	X-RAY DIFFRACTION	21	B	0 - 3
22	X-RAY DIFFRACTION	22	B	4 - 15
23	X-RAY DIFFRACTION	23	B	16 - 23
24	X-RAY DIFFRACTION	24	B	24 - 32
25	X-RAY DIFFRACTION	25	B	33 - 36
26	X-RAY DIFFRACTION	26	B	37 - 65
27	X-RAY DIFFRACTION	27	B	66 - 96
28	X-RAY DIFFRACTION	28	B	97 - 113
29	X-RAY DIFFRACTION	29	B	114 - 121
30	X-RAY DIFFRACTION	30	B	122 - 147
31	X-RAY DIFFRACTION	31	B	148 - 155
32	X-RAY DIFFRACTION	32	B	156 - 162
33	X-RAY DIFFRACTION	33	B	163 - 166
34	X-RAY DIFFRACTION	34	B	167 - 184
35	X-RAY DIFFRACTION	35	B	185 - 199
36	X-RAY DIFFRACTION	36	B	200 - 210
37	X-RAY DIFFRACTION	37	B	211 - 215
38	X-RAY DIFFRACTION	38	B	216 - 236
39	X-RAY DIFFRACTION	39	B	237 - 248
40	X-RAY DIFFRACTION	40	B	249 - 252

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