PDB-3efp: Crystal structure of the Escherichia coli twin arginine leader pe...

ID or keywords:

Entry

Database: PDB / ID: 3efp

Title

Crystal structure of the Escherichia coli twin arginine leader peptide binding protein DmsD in a monomeric form

Components

Twin-arginine leader-binding protein dmsD

Keywords

CHAPERONE / twin-arginine translocation (Tat) /

protein targeting /

protein translocation / leader peptide /

signal peptide / redox enzyme maturation protein (REMP)

Function / homology

Function and homology information

signal sequence binding / chaperone-mediated protein folding /

plasma membrane /

cytoplasm
Similarity search - Function

Biological species

Escherichia coli (E. coli)

Method

X-RAY DIFFRACTION / Resolution: 2.01 Å

Authors

Stevens, C.M. / Paetzel, M.

Citation

Journal: J.Mol.Biol. / Year: 2009
Title: Structural analysis of a monomeric form of the twin-arginine leader peptide binding chaperone Escherichia coli DmsD.
Authors: Stevens, C.M. / Winstone, T.M. / Turner, R.J. / Paetzel, M.

History

Deposition	Sep 9, 2008	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 7, 2009	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Source and taxonomy / Version format compliance
Revision 1.2	Aug 30, 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_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_ref_seq_dif.details / _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	3efp.cif.gz	109.5 KB	Display	PDBx/mmCIF format
PDB format	pdb3efp.ent.gz	86.3 KB	Display	PDB format
PDBx/mmJSON format	3efp.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ef/3efp ftp://data.pdbj.org/pub/pdb/validation_reports/ef/3efp	HTTPS FTP

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Related structure data

Related structure data	1s9uS S: Starting model for refinement
Similar structure data	6e0u-2 6ifv-1 3u41-4 1sre-d 3u41-7 3npw-2 6hds-2 4wpl-d 3u41-2 3u41-5 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
Related items in Molecule of the Month	#32 - Aug 2002 Chaperones similarity (1)

Deposited unit

A: Twin-arginine leader-binding protein dmsD

B: Twin-arginine leader-binding protein dmsD

hetero molecules

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

1

A: Twin-arginine leader-binding protein dmsD

hetero molecules

defined by author&software
24.6 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Twin-arginine leader-binding protein dmsD

hetero molecules

defined by author&software
24.4 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	128.020, 128.020, 78.723
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	152
Space group name H-M	P3₁21

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Protein , 1 types, 2 molecules AB

#1: Protein	Twin-arginine leader-binding protein dmsD Mass: 23851.051 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Strain: K12 / Gene: dmsD, ynfI, b1591, JW5262 / Plasmid: pRSET-A / Production host: Escherichia coli (E. coli) / Strain (production host): C41(DE3) / References: UniProt: P69853

#1: Protein

Twin-arginine leader-binding protein dmsD

Mass: 23851.051 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Escherichia coli (E. coli) / Strain: K12 / Gene: dmsD, ynfI, b1591, JW5262 / Plasmid: pRSET-A / Production host:

Escherichia coli (E. coli) / Strain (production host): C41(DE3) / References: UniProt: P69853

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Non-polymers , 5 types, 428 molecules

#2: Chemical	ChemComp-TRS / 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / TRIS BUFFER / Tris Mass: 122.143 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₄H₁₂NO₃ / Comment: pH buffer*YM
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol Mass: 92.094 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Chemical	ChemComp-CL / CHLORIDE ION / Chloride Mass: 35.453 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Cl
#5: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Na
#6: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 411 / 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: 3.9 Å³/Da / Density % sol: 68.49 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 1.25M ammonium sulfate, 12% glycerol, 0.1M Bis-Tris pH 6.5, 72 hours, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.5418 Å

Detector

Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Aug 16, 2007 / Details: Rigaku VariMAX HF

Radiation

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

Radiation wavelength

Wavelength: 1.5418 Å / Relative weight: 1

Reflection

Resolution: 2.01→30.75 Å / Num. all: 49796 / Num. obs: 48639 / % possible obs: 97.7 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 5.72 % / B_iso Wilson estimate: 92.8 Å² / R_merge(I) obs: 0.089 / Χ²: 0.96 / Scaling rejects: 2102

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	Num. measured all	Num. unique all	Χ²	% possible all
2.01-2.08	5.58	0.362	4.5	26522	4703	1.16	95.6
2.08-2.16	5.72	0.33	4.8	27446	4759	1.07	96.6
2.16-2.26	5.71	0.288	5.3	27519	4780	1.04	96.7
2.26-2.38	5.72	0.245	6.1	27703	4795	1.03	97
2.38-2.53	5.73	0.208	6.8	27781	4813	1	97.6
2.53-2.73	5.74	0.169	8	28141	4860	0.97	98
2.73-3	5.75	0.124	10.1	28333	4886	0.93	98.5
3-3.43	5.78	0.083	14.2	28664	4925	0.88	98.6
3.43-4.33	5.78	0.047	22.8	28879	4975	0.79	99.3
4.33-30.75	5.65	0.036	30.1	29169	5143	0.78	99.4

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Processing

Software

Name	Version	Classification
d*TREK	8.0SSI	data scaling
REFMAC	5.2.0019	refinement
PDB_EXTRACT	3.006	data extraction
CrystalClear		data collection
d*TREK		data reduction
PHASER		phasing

Refinement

Starting model: 1s9u

1s9u

Resolution: 2.01→30.75 Å / Cor.coef. F_o:F_c: 0.958 / Cor.coef. F_o:F_c free: 0.939 / Occupancy max: 1 / Occupancy min: 0.5 / SU B: 6.515 / SU ML: 0.094 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.13 / ESU R Free: 0.127 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.213	2463	5.1 %	RANDOM
R_work	0.178	-	-	-
all	0.236	49796	-	-
obs	0.18	48639	97.7 %	-

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 max: 81.39 Å² / B_iso mean: 22.692 Å² / B_iso min: 9.11 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.43 Å²	0.22 Å²	0 Å²
2-	-	0.43 Å²	0 Å²
3-	-	-	-0.65 Å²

Refinement step

Cycle: LAST / Resolution: 2.01→30.75 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3345	0	75	411	3831

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.007	0.022	3549
X-RAY DIFFRACTION	r_angle_refined_deg	1.036	1.945	4844
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.644	5	416
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	31.863	23.626	171
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	12.736	15	532
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.4	15	22
X-RAY DIFFRACTION	r_chiral_restr	0.073	0.2	506
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.02	2754
X-RAY DIFFRACTION	r_nbd_refined	0.208	0.3	1676
X-RAY DIFFRACTION	r_nbtor_refined	0.316	0.5	2444
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.196	0.5	510
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.231	0.3	59
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.244	0.5	35
X-RAY DIFFRACTION	r_mcbond_it	0.312	1.5	2103
X-RAY DIFFRACTION	r_mcangle_it	0.554	2	3379
X-RAY DIFFRACTION	r_scbond_it	1.02	3	1564
X-RAY DIFFRACTION	r_scangle_it	1.583	4.5	1465

LS refinement shell

Resolution: 2.009→2.061 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.312	164	-
R_work	0.27	3339	-
all	-	3503	-
obs	-	-	95.76 %

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	7.197	-3.0861	2.2302	11.2887	-2.1159	7.1958	-0.2079	-0.9887	0.0075	0.7835	0.4343	0.4245	-0.2762	-0.3482	-0.2264	0.0205	-0.0246	0.0111	0.1155	-0.0235	-0.0052	-50.1261	49.8137	38.9502
2	2.4616	0.9819	-2.7926	1.0358	1.0007	10.1107	-0.1247	-0.1631	0.1293	-0.0795	0.2083	-0.1965	-0.2752	0.9779	-0.0836	-0.0616	-0.027	-0.0165	0.1291	0.0111	0.0432	-40.5794	42.9732	23.4825
3	5.2237	3.0444	-5.4075	2.0523	-1.9612	10.6943	0.0553	-0.376	-0.0844	0.2416	0.1181	-0.2096	0.4837	0.9724	-0.1733	0.004	0.071	-0.0694	0.2757	-0.0194	0.0117	-36.2997	36.044	29.534
4	3.7996	-1.6702	-2.1787	7.6549	0.8946	11.183	0.32	-0.1887	-0.6145	0.3865	-0.1702	0.1783	0.6591	0.3947	-0.1499	-0.0298	0.027	-0.0823	0.0535	0.0516	0.0526	-46.1478	31.8813	35.1367
5	1.835	1.8857	4.3802	10.0353	6.3612	12.834	-0.0671	0.956	-0.6542	0.2384	0.9738	-0.7685	1.7623	2.2033	-0.9067	0.2446	0.2736	-0.0881	0.2961	-0.1042	0.1631	-38.72	25.8754	24.5921
6	7.4172	-1.5382	3.6619	2.1948	-2.4135	6.3372	0.0078	0.0925	-0.1804	-0.0365	-0.0593	-0.125	0.4234	0.7025	0.0515	-0.0248	0.0363	0.0145	0.0671	-0.036	0.0107	-41.2663	34.1658	11.105
7	2.3516	-0.1011	-0.1719	2.0271	-1.124	1.3868	-0.0638	0.1406	0.0102	-0.0622	0.0695	-0.0101	0.0976	0.056	-0.0058	-0.0579	-0.0062	0.0072	-0.0278	0.0098	-0.0476	-54.7702	44.1775	12.5488
8	22.0255	6.1958	-9.6048	4.8255	-1.1916	6.7421	-0.1434	1.3667	-0.1309	-0.4634	0.1395	0.0711	0.3168	-0.2722	0.0039	-0.0424	-0.0101	-0.0083	0.0005	0.0308	-0.0307	-60.016	48.2643	6.7519
9	1.6021	0.2311	-0.4987	0.4857	-0.8928	1.6448	-0.0731	0.058	0.2724	0.1567	-0.0264	0.0441	-0.4593	0.0463	0.0995	-0.0002	-0.0133	0.0044	-0.0262	0.0183	0.0113	-54.8433	57.5632	15.5296
10	12.2422	-1.9196	-1.0392	24.813	10.3894	38.5178	-0.1042	0.4216	1.8238	0.929	-0.1862	-0.113	-1.313	-0.871	0.2905	0.1464	-0.0603	-0.0339	0.0392	0.0107	0.1952	-51.8673	64.6125	22.6129
11	18.2137	-6.5129	-11.6272	3.8232	13.1484	61.5141	0.5134	0.4563	1.202	-0.9758	-1.4005	0.3031	-0.3188	1.4914	0.8871	0.1796	-0.1576	0.0428	0.2389	0.1005	0.4563	-41.9989	56.8293	18.2568
12	21.0836	-3.0272	-17.76	0.8207	6.0153	46.0656	0.4333	-0.5285	0.6077	0.3326	0.1404	-0.6556	-1.249	1.3869	-0.5736	-0.0176	-0.0779	0.0088	-0.0156	0.0113	0.1263	-44.6955	53.6498	10.6614
13	1.2838	-0.1336	1.419	0.0139	-0.1477	1.5684	-0.084	-0.1346	0.0453	-0.1356	-0.0679	-0.0193	-0.343	0.3347	0.152	-0.0733	-0.0432	0.0011	0.0218	-0.0132	0.0239	-46.9667	50.9405	24.0499
14	19.8711	0.349	-1.8635	4.0022	3.4211	5.6111	-0.3418	-0.4449	0.3353	0.1166	0.1833	-0.2521	-0.3057	0.1509	0.1586	0.0386	-0.0278	-0.023	-0.0046	-0.0247	0.024	-48.1662	58.0845	34.0076
15	11.5212	-6.6366	-0.756	11.2121	8.7707	10.7495	-0.1369	0.0124	0.7685	0.0571	-0.1327	-0.0535	-0.3587	0.2088	0.2695	-0.0438	-0.0333	0.0015	-0.0502	-0.0064	0.0273	-54.6075	55.7576	29.452
16	2.1934	-1.1855	-0.1625	2.3756	0.8145	2.1549	0.061	0.0934	-0.1269	-0.0104	-0.0311	0.0665	0.1041	0.0822	-0.03	-0.0776	-0.007	-0.0034	-0.0279	0.0087	-0.0446	-53.6316	39.421	20.4491
17	18.1967	-8.9245	-5.0032	8.6004	-0.1746	15.5837	0.2552	0.2138	-0.9688	-0.3835	-0.2505	0.464	0.7555	0.143	-0.0047	0.0116	0.0311	-0.0742	-0.0142	-0.0069	-0.0078	-45.8868	32.4363	22.1261
18	12.1309	-0.8891	-2.2084	0.1972	1.3357	10.8376	0.477	0.1417	-0.899	-0.0849	-0.1774	0.428	0.7189	0.0293	-0.2995	-0.0183	0.0098	-0.0698	0.0265	0.0188	0.0413	-51.697	34.9758	27.8969
19	4.0352	-3.1395	-1.5533	2.4533	1.2163	0.6036	-0.151	-0.5039	0.2118	0.1699	0.1709	0.0581	-0.0169	0.0489	-0.0199	-0.051	-0.0317	0.0006	0.0304	0.0141	0.0115	-55.1631	42.6943	32.3985
20	1.7967	1.0909	3.2118	2.2683	2.4517	10.7053	-0.0532	-0.1619	0.0029	-0.0935	0.0124	-0.0425	-0.2287	0.1869	0.0407	-0.1106	-0.0133	0.0379	0.0087	0.0132	-0.0212	-62.7615	47.5262	23.5641
21	8.764	-2.0557	2.947	18.0486	17.1858	26.9463	-0.9734	0.6958	-1.6146	0.7677	1.6504	-0.8608	0.2835	-1.1195	-0.6771	0.2123	0.1105	0.0587	0.314	-0.0822	0.0507	-3.8746	83.685	35.5261
22	2.4956	0.3731	-3.6281	7.8028	-6.6118	15.0565	0.3241	-0.5188	0.1747	0.2466	-0.0702	-0.2651	-0.0294	0.3021	-0.2539	-0.0717	-0.011	0.03	-0.0516	-0.0105	-0.0032	-11.7181	72.3128	32.5341
23	3.168	3.0024	-0.3574	6.1579	0.1635	1.8171	-0.0519	0.091	0.0198	-0.4238	0.0258	0.0724	0.1641	-0.2503	0.0261	-0.0498	-0.0231	-0.0191	-0.0007	0.003	-0.058	-15.5068	59.1383	29.7596
24	6.8842	0.1009	2.0288	3.0683	1.6863	4.5823	0.1024	0.3879	-0.3452	-0.3783	0.0363	-0.2262	0.3163	-0.0139	-0.1387	0.1065	-0.0491	0.0168	-0.0232	-0.0003	0.036	-13.2633	47.9363	26.3743
25	4.9556	2.121	0.3095	4.9178	-2.081	1.2411	0.0531	0.0768	-0.2276	-0.1997	0.0098	-0.2547	0.4055	0.0055	-0.0629	-0.0253	-0.0036	-0.0208	-0.0441	-0.0106	-0.0111	-4.5115	54.3633	36.296
26	9.624	1.1698	-5.5602	3.5586	-5.4081	9.7674	-0.2624	-0.2227	-1.3763	-0.384	-0.3956	-0.1785	1.4388	0.0918	0.658	0.3172	-0.0178	-0.0227	-0.0115	0.0191	0.2195	-9.3712	40.6154	35.424
27	6.8271	0.7706	0.3882	0.7723	3.54	17.8569	0.0807	-0.5021	-0.7951	0.4827	-0.0509	-0.5576	1.4713	-0.3896	-0.0297	0.3609	-0.1925	-0.0455	0.0174	0.0339	0.2381	-20.2699	36.8455	32.4087
28	24.3842	2.5299	3.9756	1.3076	-1.4757	4.0594	0.4168	0.1775	-0.4781	-0.4732	0.1118	0.4002	0.9238	-0.4937	-0.5286	0.1737	-0.1942	-0.0383	0.2567	0.0056	0.1181	-29.78	43.1972	34.1814
29	3.0274	-1.6408	1.4264	2.3285	0.4221	3.9458	0.2259	-0.317	-0.1451	0.0703	-0.2851	0.5431	0.1897	-0.4311	0.0592	-0.0386	-0.1564	0.0399	0.198	0.0197	0.0766	-33.2616	55.3262	42.3072
30	4.4486	4.141	-1.8854	10.6789	-2.972	14.1116	0.5286	-0.8207	0.1144	0.7381	-0.5052	0.6805	0.4614	-0.5212	-0.0234	-0.0456	-0.1059	0.0344	0.2892	-0.0474	0.1054	-39.0679	58.9891	39.985
31	11.6258	8.9414	-5.2058	15.8594	-7.7443	5.4577	0.0495	0.3694	0.5002	-0.0937	0.2546	1.1769	-0.077	-0.9772	-0.3041	-0.0498	-0.0201	0.0143	0.1887	-0.0489	0.0395	-34.0962	68.7278	34.4916
32	14.7069	-2.1471	3.0519	42.5704	-5.3309	25.4253	0.0284	0.468	1.4019	-0.6931	-0.0315	1.1307	-1.0776	-1.5327	0.0031	0.0019	0.0717	0.032	0.1946	0.0156	0.1709	-31.4928	73.7903	28.6741
33	17.7062	29.9322	0.905	52.9298	3.9876	12.6117	-0.7174	-0.4738	0.5694	-1.4871	0.1975	2.3814	-0.132	-2.0287	0.5199	0.0952	-0.0586	-0.1261	0.3976	-0.0431	0.1192	-30.1338	62.5233	23.4495
34	3.0766	2.5799	-2.6563	3.4197	-1.8043	2.436	-0.0671	0.2554	0.117	-0.087	0.0915	0.1915	0.1236	-0.503	-0.0244	-0.05	-0.0291	-0.0042	0.1102	0.0102	0.001	-26.148	62.3821	28.5109
35	10.1367	2.4996	-9.5969	7.1911	-2.0371	9.1023	0.0138	0.2274	0.021	-0.2768	0.0653	0.3105	-0.3241	-0.7764	-0.0791	-0.0216	0.007	-0.0114	0.0405	0.0031	0.0542	-20.1795	74.4524	30.4135
36	1.6076	-0.5078	-0.6941	5.4641	0.559	1.1708	0.1239	-0.2238	-0.0336	0.3724	-0.2252	0.1031	0.108	-0.2418	0.1013	-0.06	-0.0931	-0.0046	0.0795	0.0052	-0.0193	-23.1593	60.0432	41.7444
37	9.6866	-15.437	-2.3828	32.9683	11.4724	7.6263	-1.4668	-0.794	-1.4101	0.1024	0.4724	1.7228	1.7374	0.0621	0.9944	0.1328	-0.1264	-0.0163	0.0278	0.0454	0.105	-19.8913	41.7468	40.7042
38	6.6338	5.8067	1.9395	24.6489	7.2423	4.5068	0.1452	-0.7653	-0.5283	0.9934	-0.0553	0.0431	0.7192	0.0992	-0.0899	0.0356	-0.0777	-0.0137	0.0638	0.0579	0.0094	-15.6533	47.4914	37.8809
39	2.9837	0.2294	0.2928	10.4743	0.2215	2.0291	0.0331	-0.1219	0.1892	0.5819	0.1334	-0.024	-0.0299	-0.0317	-0.1665	-0.0745	-0.0574	0.008	0.0074	0.0069	-0.0307	-13.8874	64.0565	40.7099
40	11.9041	8.9521	-8.5195	12.1877	-9.8604	8.2835	0.6782	-0.8347	0.3423	0.5051	-0.521	0.514	-0.1567	-0.1795	-0.1573	0.0095	-0.1174	0.0311	0.2082	-0.0559	-0.0083	-28.9663	63.5468	47.8582

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 11
2	X-RAY DIFFRACTION	2	A	12 - 26
3	X-RAY DIFFRACTION	3	A	27 - 44
4	X-RAY DIFFRACTION	4	A	45 - 59
5	X-RAY DIFFRACTION	5	A	60 - 64
6	X-RAY DIFFRACTION	6	A	65 - 82
7	X-RAY DIFFRACTION	7	A	83 - 93
8	X-RAY DIFFRACTION	8	A	94 - 98
9	X-RAY DIFFRACTION	9	A	99 - 110
10	X-RAY DIFFRACTION	10	A	111 - 115
11	X-RAY DIFFRACTION	11	A	116 - 120
12	X-RAY DIFFRACTION	12	A	121 - 125
13	X-RAY DIFFRACTION	13	A	126 - 139
14	X-RAY DIFFRACTION	14	A	140 - 145
15	X-RAY DIFFRACTION	15	A	146 - 150
16	X-RAY DIFFRACTION	16	A	151 - 174
17	X-RAY DIFFRACTION	17	A	175 - 179
18	X-RAY DIFFRACTION	18	A	180 - 184
19	X-RAY DIFFRACTION	19	A	185 - 191
20	X-RAY DIFFRACTION	20	A	192 - 204
21	X-RAY DIFFRACTION	21	B	-3 - 1
22	X-RAY DIFFRACTION	22	B	2 - 6
23	X-RAY DIFFRACTION	23	B	7 - 22
24	X-RAY DIFFRACTION	24	B	23 - 43
25	X-RAY DIFFRACTION	25	B	44 - 57
26	X-RAY DIFFRACTION	26	B	58 - 64
27	X-RAY DIFFRACTION	27	B	65 - 71
28	X-RAY DIFFRACTION	28	B	72 - 80
29	X-RAY DIFFRACTION	29	B	81 - 94
30	X-RAY DIFFRACTION	30	B	95 - 101
31	X-RAY DIFFRACTION	31	B	102 - 109
32	X-RAY DIFFRACTION	32	B	110 - 115
33	X-RAY DIFFRACTION	33	B	116 - 120
34	X-RAY DIFFRACTION	34	B	121 - 142
35	X-RAY DIFFRACTION	35	B	143 - 147
36	X-RAY DIFFRACTION	36	B	148 - 168
37	X-RAY DIFFRACTION	37	B	169 - 173
38	X-RAY DIFFRACTION	38	B	174 - 180
39	X-RAY DIFFRACTION	39	B	181 - 195
40	X-RAY DIFFRACTION	40	B	196 - 204

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