PDB-3is6: The Crystal Structure of a domain of a putative Permease protein ...

ID or keywords:

Entry

Database: PDB / ID: 3is6

Title

The Crystal Structure of a domain of a putative Permease protein from Porphyromonas gingivalis to 2A

Components

putative permease protein, ABC transporter

Keywords

TRANSPORT PROTEIN / ABC / transporter / permease / porphyromonas / gingivalis / PSI / MCSG / Structural Genomics / Midwest Center for Structural Genomics / Protein Structure Initiative / Cell membrane / Membrane / Transmembrane

Function / homology

: / MacB-like periplasmic core domain / MacB-like periplasmic core domain / ABC3 transporter permease protein domain / FtsX-like permease C-terminal / transmembrane transporter activity / plasma membrane / ABC transporter, permease protein, putative

Function and homology information

Biological species

Porphyromonas gingivalis (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON / Resolution: 1.95 Å

Authors

Stein, A.J. / Sather, A. / Duggan, E. / Moy, S. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)

Citation

Journal: To be Published
Title: The Crystal Structure of a domain of a putative Permease protein from Porphyromonas gingivalis to 2A
Authors: Stein, A.J. / Sather, A. / Duggan, E. / Moy, S. / Joachimiak, A.

History

Deposition	Aug 25, 2009	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 8, 2009	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Source and taxonomy / Version format compliance
Revision 1.2	Nov 1, 2017	Group: Refinement description / Category: software
Revision 1.3	Nov 27, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / struct_conn / 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_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	3is6.cif.gz	108.8 KB	Display	PDBx/mmCIF format
PDB format	pdb3is6.ent.gz	84.6 KB	Display	PDB format
PDBx/mmJSON format	3is6.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	3is6_validation.pdf.gz	462.4 KB	Display	wwPDB validaton report
Full document	3is6_full_validation.pdf.gz	467.9 KB	Display
Data in XML	3is6_validation.xml.gz	23.6 KB	Display
Data in CIF	3is6_validation.cif.gz	31.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/is/3is6 ftp://data.pdbj.org/pub/pdb/validation_reports/is/3is6	HTTPS FTP

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Related structure data

Similar structure data	2bbs-d 4fpx-d 3hl8-d 6flo-d 4ccg-d 2v21-d 1i8d-d 2deg-d 5vpv-2 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	TargetDB: APC90182.2

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: putative permease protein, ABC transporter

B: putative permease protein, ABC transporter

hetero molecules

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

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	64.390, 79.193, 105.086
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein	putative permease protein, ABC transporter Mass: 28041.457 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: pMCSG8 / Source: (gene. exp.) Porphyromonas gingivalis (bacteria) / Strain: W83 / Gene: PG0684, PG_0684 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q7MWD8
#2: Chemical	ChemComp-TRS / 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / TRIS BUFFER Mass: 122.143 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₄H₁₂NO₃ / Comment: pH buffer*YM
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO₄
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 189 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	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: 2.43 Å³/Da / Density % sol: 49.4 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 30% PEG 3000, 0.1M Tris pH 8.5, 0.2M Lithium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 19-ID / Wavelength: 0.9794 Å

Detector

Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jun 30, 2009

Radiation

Monochromator: Double crystal / Protocol: SINGLE WAVELENGTH / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.9794 Å / Relative weight: 1

Reflection

Resolution: 1.95→50 Å / Num. obs: 39970 / % possible obs: 99.9 % / Redundancy: 4.9 % / R_merge(I) obs: 0.101 / Χ²: 2.649 / Net I/σ(I): 8.3

Reflection shell

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique all	Χ²	Diffraction-ID	% possible all
1.95-2.02	5	0.717	3955	0.97	1	100
2.02-2.1	5	0.503	3922	0.976	1	99.9
2.1-2.2	5	0.36	3946	1.029	1	100
2.2-2.31	5	0.258	3959	1.107	1	100
2.31-2.46	5	0.202	3945	1.237	1	100
2.46-2.65	5	0.156	3970	1.467	1	100
2.65-2.91	5	0.12	4004	2.092	1	99.9
2.91-3.33	4.9	0.095	4008	3.23	1	100
3.33-4.2	4.9	0.079	4045	5.163	1	99.9
4.2-50	4.6	0.082	4216	9.562	1	99.2

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Processing

Software

Name	Version	Classification
DENZO		data reduction
SCALEPACK		data scaling
REFMAC	refmac_5.5.0102	refinement
PDB_EXTRACT	3.004	data extraction
SBC-Collect		data collection
HKL-3000		data reduction
HKL-3000		data scaling
SHELX		phasing
MLPHARE		phasing
DM		phasing
ARP/wARP		model building
Coot		model building

Refinement

Resolution: 1.95→43.78 Å / Cor.coef. F_o:F_c: 0.951 / Cor.coef. F_o:F_c free: 0.927 / WR_factor R_free: 0.256 / WR_factor R_work: 0.212 / SU B: 9.087 / SU ML: 0.119 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.168 / ESU R Free: 0.16 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : RESIDUAL ONLY

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.259	1994	5 %	RANDOM
R_work	0.213	-	-	-
obs	0.215	39858	99.5 %	-

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: 19.402 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.07 Å²	0 Å²	0 Å²
2-	-	-0.08 Å²	0 Å²
3-	-	-	0.01 Å²

Refinement step

Cycle: LAST / Resolution: 1.95→43.78 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3454	0	13	189	3656

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.011	0.022	3535
X-RAY DIFFRACTION	r_bond_other_d	0.017	0.02	12
X-RAY DIFFRACTION	r_angle_refined_deg	1.283	1.98	4798
X-RAY DIFFRACTION	r_angle_other_deg	1.692	3	24
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.752	5	452
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	33.619	23.172	145
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.507	15	592
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	19.989	15	31
X-RAY DIFFRACTION	r_chiral_restr	0.083	0.2	560
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.021	2633
X-RAY DIFFRACTION	r_mcbond_it	0.57	1.5	2266
X-RAY DIFFRACTION	r_mcbond_other	0.199	1.5	3
X-RAY DIFFRACTION	r_mcangle_it	1.05	2	3635
X-RAY DIFFRACTION	r_scbond_it	2.245	3	1269
X-RAY DIFFRACTION	r_scangle_it	3.285	4.5	1161

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
1.947-1.997	0.284	136	0.249	2648	2902	95.934
1.997-2.052	0.28	134	0.239	2693	2837	99.648
2.052-2.111	0.293	152	0.236	2582	2744	99.636
2.111-2.176	0.279	139	0.229	2543	2691	99.666
2.176-2.247	0.294	129	0.233	2501	2633	99.886
2.247-2.326	0.238	132	0.215	2389	2521	100
2.326-2.413	0.315	94	0.213	2336	2432	99.918
2.413-2.512	0.264	123	0.208	2240	2364	99.958
2.512-2.623	0.297	104	0.237	2159	2264	99.956
2.623-2.75	0.272	111	0.234	2058	2173	99.816
2.75-2.899	0.275	105	0.24	1943	2050	99.902
2.899-3.074	0.3	107	0.228	1872	1981	99.899
3.074-3.285	0.254	85	0.219	1764	1849	100
3.285-3.546	0.231	103	0.199	1613	1719	99.825
3.546-3.882	0.193	73	0.183	1519	1595	99.812
3.882-4.336	0.201	60	0.183	1393	1453	100
4.336-4.999	0.257	65	0.18	1248	1314	99.924
4.999-6.102	0.249	63	0.219	1045	1109	99.91
6.102-8.547	0.299	53	0.229	827	882	99.773
8.547-43.783	0.305	26	0.239	491	546	94.689

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	4.1486	-1.7628	0.434	5.0677	-2.9063	3.534	-0.0037	-0.3295	-0.446	0.4362	0.0342	0.155	0.2947	-0.1075	-0.0305	0.2357	-0.0867	-0.0148	0.2114	0.0176	0.1	1.5381	8.8288	20.4039
2	11.387	-8.2022	7.7489	5.9273	-5.4243	6.8937	-0.1595	0.1203	0.0245	0.0973	-0.0697	0.003	-0.3187	-0.2095	0.2292	0.3769	0.0135	-0.0478	0.4684	-0.0499	0.4688	-16.2206	31.9486	11.2215
3	2.6088	-0.9841	-0.1885	2.6357	-0.4007	1.4962	-0.0154	-0.3393	0.1285	0.3376	-0.0581	0.0558	-0.0791	-0.113	0.0735	0.0929	-0.049	0.0105	0.1768	-0.0474	0.0799	-0.3587	24.5516	20.0205
4	8.0418	-5.5386	-3.905	3.9528	2.021	5.7175	0.3146	0.2911	0.5783	-0.1702	-0.1001	-0.3916	-0.2097	-0.1677	-0.2145	0.1964	0.013	0.0412	0.337	0.0114	0.2083	12.1825	21.139	-1.3144
5	5.4743	-0.1051	-6.031	0.0185	0.1997	7.3438	0.0052	0.083	-0.181	-0.0067	-0.0246	-0.0333	0.0283	-0.074	0.0195	0.0714	0.0306	0.0095	0.1268	0.0143	0.1336	18.353	17.3573	-0.9553
6	3.4613	5.6974	0.2952	9.3921	0.3638	4.3578	0.1554	-0.1882	-0.0111	0.2664	-0.2727	-0.0215	0.1297	0.1763	0.1173	0.1515	-0.0226	-0.0354	0.2392	0.0375	0.132	10.6646	14.6806	18.9447
7	9.4363	-1.2159	0.7032	2.8261	3.474	4.8341	0.0426	-0.3952	-0.2633	0.3381	0.007	-0.0359	0.4272	-0.0269	-0.0495	0.2209	-0.0489	-0.0873	0.3043	0.1353	0.252	20.5327	12.1114	17.0639
8	5.779	2.7365	-1.0018	7.7674	0.5676	6.3231	0.1316	-0.3731	0.2553	0.0582	-0.2253	-0.1662	-0.3315	0.2829	0.0937	0.0625	0.0213	-0.0446	0.1974	0.0352	0.1216	19.7319	17.447	10.5216
9	18.904	-6.255	-10.75	2.6083	2.1839	9.8006	-0.1168	-0.2887	0.2113	-0.1278	-0.0492	-0.2647	0.4153	0.5596	0.1659	0.2183	0.0338	0.0292	0.2188	-0.0325	0.365	21.68	7.6829	1.1502
10	5.6062	-2.2279	2.981	11.5672	-7.131	10.3134	0.0139	-0.1639	-0.0116	0.1203	-0.0255	-0.0059	-0.0565	0.3829	0.0115	0.0347	0.0147	-0.0065	0.1943	-0.0085	0.0902	24.8513	19.155	1.1964
11	1.3641	-0.0309	0.4257	8.0675	-3.7281	1.8564	0.2258	-0.132	0.0271	0.1304	-0.1393	0.1591	-0.0148	0.0509	-0.0865	0.1777	-0.0086	0.0308	0.2054	-0.0248	0.1575	24.8067	24.5857	2.3403
12	7.3532	2.8487	0.4023	1.1197	0.059	0.6367	0.1865	-0.3449	-0.7165	0.0186	-0.1346	-0.2732	0.3394	-0.0902	-0.0518	0.2089	-0.0327	-0.0477	0.1736	0.0245	0.156	8.816	8.1983	9.8161
13	4.6417	2.6612	-0.7083	9.4198	2.3683	6.173	0.088	0.0594	-0.0197	-0.363	-0.0837	-0.3047	-0.114	0.1775	-0.0043	0.0539	0.004	-0.0264	0.142	0.0562	0.1262	12.6587	19.2755	9.1574
14	15.2907	-6.1324	-8.9304	2.5177	3.8118	7.5983	0.139	-0.1671	0.4614	-0.1067	-0.0227	-0.1546	-0.3715	0.0717	-0.1163	0.2909	-0.0594	0.0028	0.2375	-0.0248	0.3317	7.8886	32.5947	14.8439
15	1.0298	-2.8684	0.0117	8.5068	1.3575	4.1077	-0.0127	-0.032	0.035	-0.0567	-0.0368	0.0229	-0.4462	-0.235	0.0494	0.239	-0.0223	0.04	0.2228	-0.0398	0.3159	0.864	29.2046	12.0833
16	2.3936	-1.7019	-0.2445	3.9779	-0.3395	1.8758	-0.1941	-0.5302	-0.1974	0.5351	0.1782	0.3582	0.0759	-0.1131	0.0159	0.2672	-0.0478	0.0448	0.3627	-0.0106	0.127	-4.7974	19.1701	27.9214
17	13.9831	4.6498	-4.9489	18.2979	-1.3446	7.8307	0.2718	-0.5084	0.1668	0.3933	0.0056	0.1728	-0.1734	0.1421	-0.2774	0.1989	-0.0466	0.0118	0.2637	-0.134	0.1936	-4.3745	34.0747	26.7995
18	44.1385	6.65	40.8847	31.6193	15.0629	40.4668	-2.0859	-0.8807	1.8057	0.5072	-0.0212	1.2662	-1.8002	-0.7674	2.1071	0.5214	-0.0872	-0.2767	0.5111	-0.063	1.2027	-8.7618	40.593	17.944
19	1.725	-0.3828	0.016	2.8847	1.2506	2.3566	-0.017	-0.0978	0.1235	0.1309	-0.191	0.5357	-0.2211	-0.3515	0.208	0.1192	-0.0449	0.0108	0.2223	-0.0368	0.1561	-7.8552	22.4411	17.1952
20	2.3643	0.2112	0.1389	0.648	2.0827	6.8435	0.0742	0.2776	-0.3167	0.0883	0.05	-0.066	0.2631	0.1774	-0.1241	0.2409	0.0092	-0.0201	0.2383	-0.0302	0.3036	0.011	2.2007	-2.7248
21	5.7358	-0.3373	-0.507	4.2926	3.9928	6.1898	0.0631	-0.0828	0.0666	0.1379	-0.157	0.3227	-0.0941	-0.4409	0.0939	0.2589	0.1493	-0.0495	0.2485	0.0089	0.157	4.9074	52.207	-2.3887
22	22.7856	29.9748	24.7478	39.6607	34.3142	42.5999	-0.1025	-0.5033	-0.0756	-0.2508	-0.794	0.1424	-0.0097	-2.3253	0.8965	0.4751	0.0757	-0.223	0.6173	-0.0564	0.8008	7.0584	35.84	-7.6437
23	5.0036	-3.077	0.0413	6.0414	-4.4022	4.6363	0.4994	0.4233	0.195	-0.0412	-0.3321	0.0841	-0.2344	0.1415	-0.1673	0.3965	0.1614	0.0363	0.2803	0.0403	0.198	15.1643	49.1634	-13.0525
24	2.9508	-1.9273	1.9245	4.5642	-3.21	5.9876	0.0623	-0.0313	0.1976	-0.0135	-0.0741	0.0432	-0.4039	-0.1662	0.0117	0.1709	0.0654	0.0354	0.0834	-0.0169	0.0938	17.2239	46.8661	-0.3963
25	16.0154	3.1459	1.2657	6.065	0.0184	4.5002	0.2074	-0.3572	0.1426	0.3849	0.1436	-0.6228	0.0167	0.294	-0.351	0.2529	0.0064	-0.0495	0.303	-0.0385	0.2266	28.7634	44.876	21.2309
26	3.5025	-1.0255	2.6027	9.1199	-3.7607	18.1782	0.2772	-0.1218	0.097	-0.2613	0.0127	0.2564	-0.0475	0.1183	-0.2899	0.0806	0.023	0.0505	0.0606	-0.0122	0.1067	20.3367	46.1769	6.588
27	4.4421	-1.8709	-2.6093	1.1003	1.2631	4.9652	0.2249	0.338	0.3985	-0.4472	-0.2169	-0.0402	-0.8967	-0.1334	-0.008	0.5547	0.0854	-0.0547	0.1289	0.0309	0.2794	15.3228	56.783	3.4258
28	0.4482	-0.7252	0.0288	3.311	4.8097	12.3497	0.091	0.1074	0.351	-0.6373	-0.3309	-0.3462	-0.8035	-0.2358	0.2399	0.4633	-0.0213	0.1377	0.2248	0.0299	0.487	23.098	61.1824	7.133
29	8.5126	0.0258	-5.266	4.0392	1.0152	11.1685	0.198	-0.0495	0.517	-0.1781	0.0952	-0.2322	-0.4763	0.2359	-0.2933	0.1588	-0.0187	0.0506	0.0874	-0.0062	0.1736	24.0357	53.2836	11.9946
30	10.3468	-2.116	-4.7653	1.163	2.7042	6.2951	-0.003	-0.7956	0.2553	-0.0267	0.1337	-0.0639	-0.0602	0.3315	-0.1307	0.286	-0.0872	0.0667	0.3523	-0.0266	0.2483	26.2179	54.6952	20.9872
31	4.4881	-2.9605	-0.1691	7.5154	1.9269	5.2192	0.168	-0.1721	0.0051	0.1543	0.3722	-0.7527	0.3479	0.8929	-0.5402	0.1667	-0.015	-0.0206	0.3122	-0.1012	0.261	32.9825	46.9683	14.0125
32	10.4246	1.1226	3.6589	7.3733	4.187	6.3754	0.2346	-0.4159	0.2692	-0.1787	-0.4312	0.3016	-0.1891	-0.5477	0.1967	0.1272	0.0281	0.051	0.1771	-0.0152	0.0778	11.1529	50.0177	11.5143
33	6.933	-1.7791	-6.6259	3.4595	4.9494	9.865	0.1892	-0.1895	-0.0392	-0.1048	0.1037	-0.349	-0.2599	0.2513	-0.2929	0.2257	-0.0158	0.0542	0.1538	0.0234	0.2889	24.4392	48.5777	4.5001
34	5.1571	0.8662	2.3989	5.687	2.5161	1.9232	0.076	0.277	-0.0266	-0.4735	0.0055	-0.1684	-0.1681	0.1185	-0.0815	0.2795	0.019	0.1138	0.2186	0.0169	0.1897	27.2513	42.2093	-5.2558
35	5.8799	-4.446	1.1935	5.1908	-1.2277	1.799	0.1003	0.1787	0.1036	-0.2374	-0.1883	0.1312	-0.2271	-0.1844	0.088	0.2089	0.1109	0.0046	0.1476	-0.0211	0.1103	12.2391	46.9373	-7.9592
36	6.1658	-7.024	-2.7265	9.1411	4.1818	6.3859	0.0547	0.2876	-0.0584	-0.6036	-0.1032	0.3481	0.3123	0.0061	0.0485	0.6311	0.1422	-0.1624	0.4442	0.0077	0.2131	8.9406	45.2862	-19.1847
37	0.0232	-0.153	-0.1801	1.074	1.2681	1.4996	0.0385	-0.0139	-0.0261	-0.5222	0.0891	-0.0612	-0.5855	0.1338	-0.1276	0.9578	0.0956	-0.042	0.7348	-0.1435	0.9612	15.1985	35.1155	-18.9557
38	7.2884	-6.8973	-7.0994	9.9677	10.3376	19.2811	0.0208	0.5978	-0.3524	-0.3928	-0.5071	0.6602	0.361	-1.0008	0.4863	0.2967	0.0929	-0.1124	0.2894	-0.0371	0.196	5.64	43.7845	-9.3087
39	11.6313	-13.4789	-1.3844	17.4791	3.4707	2.0532	0.4013	-0.1122	-0.5403	-0.3678	-0.5465	0.6828	-0.0097	-0.6399	0.1452	0.4759	0.0433	0.0721	0.5009	0.0488	0.5355	7.3947	37.3164	3.1463
40	15.3369	1.5652	3.0222	18.8636	3.093	19.3947	0.044	-0.5203	0.6276	-0.1431	0.1305	0.2198	-0.3392	-0.5206	-0.1745	0.1752	0.0152	0.0778	0.1143	0.006	0.2243	18.8435	32.4332	5.7344

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	46 - 58
2	X-RAY DIFFRACTION	2	A	59 - 72
3	X-RAY DIFFRACTION	3	A	73 - 103
4	X-RAY DIFFRACTION	4	A	104 - 109
5	X-RAY DIFFRACTION	5	A	110 - 124
6	X-RAY DIFFRACTION	6	A	125 - 134
7	X-RAY DIFFRACTION	7	A	135 - 145
8	X-RAY DIFFRACTION	8	A	146 - 156
9	X-RAY DIFFRACTION	9	A	157 - 164
10	X-RAY DIFFRACTION	10	A	165 - 174
11	X-RAY DIFFRACTION	11	A	175 - 185
12	X-RAY DIFFRACTION	12	A	186 - 196
13	X-RAY DIFFRACTION	13	A	197 - 205
14	X-RAY DIFFRACTION	14	A	206 - 215
15	X-RAY DIFFRACTION	15	A	216 - 222
16	X-RAY DIFFRACTION	16	A	223 - 241
17	X-RAY DIFFRACTION	17	A	242 - 248
18	X-RAY DIFFRACTION	18	A	249 - 254
19	X-RAY DIFFRACTION	19	A	255 - 270
20	X-RAY DIFFRACTION	20	A	271 - 284
21	X-RAY DIFFRACTION	21	B	48 - 60
22	X-RAY DIFFRACTION	22	B	61 - 79
23	X-RAY DIFFRACTION	23	B	80 - 94
24	X-RAY DIFFRACTION	24	B	95 - 106
25	X-RAY DIFFRACTION	25	B	107 - 118
26	X-RAY DIFFRACTION	26	B	119 - 125
27	X-RAY DIFFRACTION	27	B	126 - 136
28	X-RAY DIFFRACTION	28	B	137 - 145
29	X-RAY DIFFRACTION	29	B	146 - 159
30	X-RAY DIFFRACTION	30	B	160 - 168
31	X-RAY DIFFRACTION	31	B	169 - 186
32	X-RAY DIFFRACTION	32	B	187 - 199
33	X-RAY DIFFRACTION	33	B	200 - 205
34	X-RAY DIFFRACTION	34	B	206 - 214
35	X-RAY DIFFRACTION	35	B	215 - 232
36	X-RAY DIFFRACTION	36	B	233 - 246
37	X-RAY DIFFRACTION	37	B	247 - 260
38	X-RAY DIFFRACTION	38	B	261 - 267
39	X-RAY DIFFRACTION	39	B	268 - 278
40	X-RAY DIFFRACTION	40	B	279 - 285

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