PDB-3lzp: Crystal Structure Analysis of the 'as-isolated' P19 protein from ...

ID or keywords:

Entry

Database: PDB / ID: 3lzp

Title

Crystal Structure Analysis of the 'as-isolated' P19 protein from Campylobacter jejuni at 1.65 A at pH 9.0

Components

P19 protein

Keywords

TRANSPORT PROTEIN / copper binding / iron transport / iron uptake / P19 delition

Function / homology

Function and homology information

metal ion binding
Similarity search - Function

Biological species

Campylobacter jejuni (Campylobacter)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.65 Å

Authors

Doukov, T.I. / Chan, A.C.K. / Scofield, M. / Ramin, A.B. / Tom-Yew, S.A.L. / Murphy, M.E.P.

Citation

Journal: J.Mol.Biol. / Year: 2010
Title: Structure and Function of P19, a High-Affinity Iron Transporter of the Human Pathogen Campylobacter jejuni.
Authors: Chan, A.C. / Doukov, T.I. / Scofield, M. / Tom-Yew, S.A. / Ramin, A.B. / Mackichan, J.K. / Gaynor, E.C. / Murphy, M.E.

History

Deposition	Mar 1, 2010	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 21, 2010	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Feb 21, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / 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 / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.3	Apr 3, 2024	Group: Refinement description / Category: pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	3lzp.cif.gz	152.3 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	3lzp_validation.pdf.gz	443.9 KB	Display	wwPDB validaton report
Full document	3lzp_full_validation.pdf.gz	445.8 KB	Display
Data in XML	3lzp_validation.xml.gz	16.7 KB	Display
Data in CIF	3lzp_validation.cif.gz	23.9 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/lz/3lzp ftp://data.pdbj.org/pub/pdb/validation_reports/lz/3lzp	HTTPS FTP

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Related structure data

Related structure data	3lzlC 3lznC 3lzoC 3lzqC 3lzrC 2o6c 2o6d 2o6e 2o6f C: citing same article (ref.)
Similar structure data	5i0w-d 6wee-2 6wef-2 3lzr-d 3lzq-d 5i0v-d 6wee-1 6wef-6 4wbq-d 6wef-1 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: P19 protein

B: P19 protein

hetero molecules

35.7 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)	53.706, 72.533, 75.185
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	18
Space group name H-M	P2₁2₁2

#1: Protein	P19 protein Mass: 17590.859 Da / Num. of mol.: 2 / Fragment: residues 22-179 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Campylobacter jejuni (Campylobacter) / Strain: 81-176 / Gene: CJJ81176_1650, Gene Cj81176_1659 / Plasmid: pET19 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: A1W1R1, UniProt: A0A0H3PA01*PLUS
#2: Chemical	ChemComp-CU / COPPER (II) ION Mass: 63.546 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cu
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: SO₄
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 253 / 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: 2.08 Å³/Da / Density % sol: 40.9 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 9 Details: 50% POLYETHYLENE GLYCOL (PEG) 250, 0.1 M CHES (2-(N-CYCLOHEXYLAMINO) ETHANE SULFONIC ACID) BUFFER PH 9.0, CRYO FROZEN WITHOUT ANY ADDITION, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SSRL / Beamline: BL1-5 / Wavelength: 0.979 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Aug 1, 2006 Details: 1m Rh coated cylindrical mirror; Si(111) double crystal, parallel monochromator
Radiation	Monochromator: Si(111) double crystal, paralel monochromator Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 1.65→19 Å / Num. obs: 35799 / % possible obs: 99.6 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 5.9 % / B_iso Wilson estimate: 28.7 Å² / R_merge(I) obs: 0.041 / Net I/σ(I): 23.2
Reflection shell	Resolution: 1.65→1.74 Å / Redundancy: 6 % / R_merge(I) obs: 0.598 / Mean I/σ(I) obs: 2.8 / Num. unique all: 5190 / % possible all: 100

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Processing

Software

Name	Classification
Blu-Ice	data collection
REFMAC	refinement
XDS	data reduction
XSCALE	data scaling
REFMAC	phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: P6222 incomplete SeMAD model at 2.8 A resolution.

Resolution: 1.65→18.8 Å / Cor.coef. F_o:F_c: 0.972 / Cor.coef. F_o:F_c free: 0.957 / SU B: 4.507 / SU ML: 0.072 / Cross valid method: THROUGHOUT / ESU R: 0.092 / ESU R Free: 0.094 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.19505	1729	4.8 %	RANDOM
R_work	0.15741	-	-	-
obs	0.15926	34228	99.35 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 23.526 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.45 Å²	0 Å²	0 Å²
2-	-	0.15 Å²	0 Å²
3-	-	-	0.3 Å²

Refine analyze

	Free	Obs
Luzzati coordinate error	0.094 Å	0.092 Å

Refinement step

Cycle: LAST / Resolution: 1.65→18.8 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	2474	0	22	253	2749

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.014	0.022	2630
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	1801
X-RAY DIFFRACTION	r_angle_refined_deg	1.494	1.976	3575
X-RAY DIFFRACTION	r_angle_other_deg	0.849	3	4421
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.754	5	335
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	40.588	25.203	123
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.408	15	439
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	19.354	15	7
X-RAY DIFFRACTION	r_chiral_restr	0.093	0.2	359
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.021	2954
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	513
X-RAY DIFFRACTION	r_mcbond_it	1.911	3	1598
X-RAY DIFFRACTION	r_mcbond_other	0.568	3	657
X-RAY DIFFRACTION	r_mcangle_it	3.055	5	2572
X-RAY DIFFRACTION	r_scbond_it	4.69	8	1032
X-RAY DIFFRACTION	r_scangle_it	6.805	11	993

LS refinement shell

Resolution: 1.65→1.69 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.284	117	-
R_work	0.251	2385	-
obs	-	-	96.19 %

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	2.3955	-1.1104	-0.3732	6.349	9.739	14.3706	0.0688	0.5498	0.2922	-0.5266	0.1845	-0.2963	-0.9252	0.222	-0.2533	0.1649	-0.032	0.0161	0.181	0.0819	0.1537	26.428	28.229	2.543
2	2.8501	-0.8564	-0.1761	7.7728	11.0066	14.1902	-0.0341	0.4642	0.1938	-0.5273	0.1121	-0.0886	-0.8829	0.1823	-0.078	0.2111	-0.0089	-0.0013	0.1421	0.0701	0.1162	24.798	25.381	4.973
3	1.8951	-1.7329	1.9392	5.7496	-1.6127	4.3039	0.31	0.3882	-0.2635	-0.3203	-0.3587	-0.0573	0.2222	-0.0015	0.0487	0.194	0.0463	-0.0533	0.2629	-0.0664	0.1319	20.836	8.074	0.194
4	7.8193	-2.7505	8.949	5.0746	-10.1346	19.1688	0.3823	-0.3402	-0.0967	-0.145	0.2257	1.2222	0.0553	-1.2184	-0.608	0.2195	-0.104	0.056	0.1775	-0.0895	0.5764	12.263	5.509	3.903
5	3.3519	0.2573	3.592	3.7526	1.7877	5.703	0.3296	0.2828	-0.1422	-0.2953	-0.1359	0.0287	0.2805	0.0192	-0.1937	0.2024	0.0274	-0.0346	0.2311	0.0119	0.08	18.339	12.637	-3.216
6	2.2483	0.5992	0.5468	1.9098	1.2076	4.103	-0.0114	0.037	0.2029	-0.1428	-0.0255	-0.0816	-0.3091	0.0656	0.0369	0.1163	-0.001	-0.0154	0.0308	0.0365	0.1296	26.932	27.829	17.506
7	0.7936	0.6264	-0.4223	0.7687	-0.2758	0.8593	-0.0838	-0.0146	0.061	-0.1151	-0.0153	0.005	-0.0688	-0.1581	0.0991	0.0988	0.0102	-0.0114	0.0798	0.0107	0.0871	20.837	21.19	15.94
8	-0.2334	1.8813	-2.1866	4.3231	-4.2969	23.2417	-0.2566	0.2473	0.0956	0.0465	-0.0597	-0.0728	-0.5538	0.6536	0.3163	0.1778	-0.0472	-0.085	0.2182	0.0675	0.1513	12.948	23.873	0.402
9	1.8012	-0.7634	2.5602	0.4856	0.3659	9.7173	-0.162	0.2109	0.1676	-0.1388	-0.0326	0.0515	-0.1763	0.0625	0.1946	0.2155	-0.0157	-0.0654	0.1994	0.05	0.1833	11.2	24.64	-7.172
10	2.3707	-1.451	2.1891	3.0864	-0.7149	2.2957	0.2332	0.2075	-0.0776	-0.1968	-0.1302	-0.1227	-0.0279	-0.0395	-0.103	0.1552	0.0362	-0.0052	0.1039	-0.0058	0.0937	22.708	12.834	9.463
11	1.1809	0.1365	1.9355	0.8391	0.8721	3.362	0.1288	0.2346	-0.0116	-0.2524	-0.0867	0.0498	0.0905	0.0069	-0.0421	0.1981	0.0534	-0.0231	0.2149	0.0239	0.1141	17.548	15.774	-1.268
12	19.2838	3.8315	-4.0633	-10.4724	7.8893	8.7269	-0.4575	0.338	-0.8282	0.5829	0.7926	0.3765	0.4837	-0.6148	-0.335	0.3484	0.1114	-0.0731	0.5346	0.1331	0.1908	9.786	14.125	-13.224
13	0.5402	-0.3433	1.8305	0.6549	-0.011	8.8146	-0.062	0.2059	0.1369	-0.1316	-0.0113	0.0042	-0.2467	0.135	0.0733	0.1427	-0.0211	-0.0517	0.1837	0.0431	0.1581	15.659	26.012	-1.412
14	9.7785	3.9952	8.667	2.4944	-2.9599	28.7701	0.0735	-0.26	0.5596	0.1637	0.1072	0.1538	-0.154	-1.2511	-0.1807	0.0886	0.035	-0.0086	0.1634	0.0127	0.1725	11.007	23.648	19.184
15	9.9282	2.4353	5.4798	1.4749	0.3595	9.1366	-0.112	-0.0995	0.3304	0.1789	-0.0438	0.2081	-0.4921	-0.1199	0.1558	0.1487	0.0294	0.017	0.1077	-0.0185	0.1758	16.076	28.867	29.422
16	6.471	-1.2368	7.0005	3.9373	-6.6634	24.7558	-0.2075	-0.5016	0.5132	0.3012	-0.2725	-0.0574	-1.0492	-0.1109	0.48	0.1718	0.0121	-0.0369	0.145	-0.08	0.1902	20.883	32.033	33.007
17	-2.0375	1.7193	7.1029	12.0438	2.4414	29.7027	0.0462	0.0792	0.1833	0.1558	-0.0106	-0.1247	-0.3506	-0.8867	-0.0356	0.1788	0.0731	-0.0253	0.1517	-0.003	0.2318	14.979	32.87	18.547
18	3.4312	-0.3691	-11.397	3.9565	5.0761	45.8747	-0.1742	0.4072	0.0297	-0.121	-0.1386	0.2486	-0.8347	-1.2591	0.3128	0.2763	0.0287	-0.0735	0.1333	0.0034	0.1826	14.306	32.638	7.324
19	-1.0312	1.5002	-0.1571	7.3629	9.7074	27.1498	-0.2454	0.4065	0.3113	-0.2744	0.09	0.2267	-0.6908	0.9274	0.1554	0.1134	-0.1187	-0.0805	0.4421	0.1077	0.208	21.003	29.662	-4.481
20	7.9314	-7.5143	-4.5437	16.0845	5.3848	11.7721	-0.5148	0.0219	0.241	-0.4359	0.0098	-0.656	0.536	1.6371	0.5049	0.1668	0.0645	0.0055	0.4325	0.097	0.1514	23.955	19.38	-11.314
21	0.2633	0.0433	0.3119	0.1051	-0.0203	0.4963	-0.003	0.0496	0.0189	-0.0283	-0.0043	0.0159	-0.0308	-0.022	0.0073	0.1482	0.0013	-0.0025	0.1415	0.0069	0.135	18.1543	24.0922	4.6456
22	14.5294	-3.7862	6.5876	12.9764	2.345	3.3018	-0.3884	-0.8144	0.3073	0.2436	0.5303	-1.2517	0.0529	-0.0976	-0.1419	0.029	0.0197	-0.0172	0.2142	0.0031	0.0681	27.941	12.902	38.833
23	2.6658	6.5305	6.3235	14.4255	14.7013	17.339	0.5656	-0.1959	-0.3803	0.3443	-0.2872	-0.517	0.3355	-0.4993	-0.2784	0.0987	-0.0376	-0.0352	0.106	0.0535	0.0672	28.085	3.567	28.275
24	0.4408	-0.165	-1.6086	4.5546	4.2804	7.1807	0.0722	-0.2259	0.0308	-0.0505	-0.1281	-0.3989	-0.0395	-0.2912	0.0558	0.026	-0.0005	0.014	0.1675	-0.0179	0.0887	25.876	11.329	31.886
25	5.8771	-4.703	6.0474	3.1665	-5.359	13.3376	-0.1112	-0.1225	0.3139	0.1887	0.0455	-0.2974	-0.5456	-0.0334	0.0657	0.102	-0.0067	-0.0124	0.1167	-0.0345	0.1512	17.364	25.237	38.554
26	25.5256	6.1184	-1.5364	2.9332	-8.8641	14.7927	0.3202	-0.1326	1.2171	0.2252	0.2786	0.6842	-0.1429	-0.588	-0.5988	0.0545	0.0692	0.049	0.1413	0.0272	0.2143	8.626	26.644	29.703
27	4.8442	-0.2233	0.8661	2.7217	-3.1026	3.6306	0.2162	-0.1124	0.0503	0.1946	-0.0046	0.2815	-0.0279	-0.0535	-0.2116	0.1201	0.0199	0.0128	0.1805	-0.0471	0.1001	10.85	22.544	40.452
28	6.186	0.0813	-3.9357	4.5408	3.6248	4.5144	0.0208	-0.3684	0.1614	0.2649	-0.079	-0.0991	0.1371	0.0906	0.0582	0.0618	0.0424	-0.0137	0.1271	0.0017	0.0548	20.435	17.119	34.203
29	4.53	-0.5911	-0.5607	1.0828	1.7595	1.5715	-0.1559	-0.1427	-0.3583	-0.0187	0.0041	0.0558	-0.0194	0.2069	0.1518	0.0466	0.0131	0.0431	0.0585	0.067	0.087	30.262	9.814	19.179
30	0.1656	-0.7137	0.0953	1.2226	-0.8699	1.9532	-0.0752	-0.0428	0.1398	-0.188	-0.0171	0.0048	-0.0216	-0.0549	0.0923	0.0824	0.0286	-0.0116	0.0215	0.0114	0.0818	21.187	14.035	20.438
31	1.7149	-0.222	3.1579	0.9671	-1.6151	11.18	0.0704	-0.3197	-0.1642	0.1929	0.016	0.1631	0.3483	-0.0683	-0.0864	0.1174	0.0253	0.0599	0.1716	0.0316	0.0807	14.582	6.691	41.828
32	7.9891	0.1942	5.5082	5.9286	-9.312	11.6306	0.2265	-0.333	-0.3806	-0.2722	0.0895	0.2079	1.0937	-0.7824	-0.316	0.2108	-0.066	0.1206	0.2437	-0.0374	0.1019	9.897	6.802	41.244
33	-0.1401	0.4821	-0.6426	2.2229	-1.2798	2.3042	0.0012	-0.1434	0.1309	0.0621	-0.0912	-0.0821	-0.0157	-0.081	0.0899	0.037	0.018	-0.011	0.0841	-0.0526	0.1184	18.639	19.87	27.979
34	0.8524	0.019	-1.0822	2.1501	-1.3412	1.8557	-0.0343	-0.154	-0.1088	0.2784	0.044	0.2503	-0.081	-0.0476	-0.0097	0.1188	-0.0045	0.0381	0.2158	-0.0152	0.1057	10.517	15.749	45.733
35	0.6736	0.1899	0.0287	0.9018	-0.1336	9.3819	-0.0082	-0.236	-0.0518	0.1053	0.0013	0.03	0.1126	0.0044	0.0069	0.0356	0.0087	0.0181	0.1072	0.0239	0.0635	17.912	6.346	34.747
36	4.4835	3.5086	-1.3073	8.4816	-0.9123	27.7973	0.0738	0.1121	-0.1291	0.0257	0.0931	-0.0589	0.7669	-1.5416	-0.1669	0.0633	-0.0225	-0.0249	0.1198	0.0216	0.0053	13.683	8.618	16.1
37	5.7279	-1.0627	-1.9167	3.8563	1.4488	2.027	0.1205	0.2013	-0.0828	-0.6132	-0.0964	-0.0864	-0.0256	-0.0306	-0.0241	0.1777	0.0296	0.0126	0.0555	-0.005	0.0629	23.95	4.929	4.701
38	0.4849	-0.8662	-3.4832	-0.3758	2.0789	10.8752	0.3886	0.25	0.3488	-0.139	0.4223	0.2097	0.1222	-0.5286	-0.8109	0.1351	0.0318	-0.0405	0.1421	0.1162	0.173	22.754	2.944	13.36
39	9.0317	-0.079	5.5281	1.2177	2.9	11.1377	0.0991	-0.1589	-0.5319	0.0604	0.045	0.0523	0.0971	-0.2659	-0.1442	0.0821	0.0063	0.0096	0.0555	0.0204	0.0891	18.572	0.282	27.277
40	2.4103	-0.1386	-6.4153	6.9366	7.9679	13.7427	-0.0847	-0.2097	0.004	0.3792	-0.0546	-0.1096	0.5469	-0.0305	0.1393	0.08	0.012	-0.0022	0.253	0.0077	0.0661	23.26	5.869	40.651
41	-0.5638	1.1399	1.6699	21.4158	5.4652	7.0568	-0.263	-0.5033	0.6544	0.5513	-0.2586	-0.8078	-0.3019	0.3144	0.5216	0.1058	-0.0162	-0.0182	0.2478	-0.001	0.179	21.625	16.416	48.253
42	0.3684	-0.1048	-0.2639	0.3237	0.036	0.5089	-0.0068	-0.0561	0	0.0265	-0.0006	0.006	0.0243	0.0004	0.0074	0.0972	-0.0017	-0.0072	0.1221	0.0069	0.1046	19.978	10.1939	31.5319

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	3 - 13
2	X-RAY DIFFRACTION	2	A	14 - 21
3	X-RAY DIFFRACTION	3	A	22 - 28
4	X-RAY DIFFRACTION	4	A	29 - 34
5	X-RAY DIFFRACTION	5	A	35 - 45
6	X-RAY DIFFRACTION	6	A	46 - 59
7	X-RAY DIFFRACTION	7	A	60 - 67
8	X-RAY DIFFRACTION	8	A	68 - 72
9	X-RAY DIFFRACTION	9	A	73 - 85
10	X-RAY DIFFRACTION	10	A	86 - 94
11	X-RAY DIFFRACTION	11	A	95 - 103
12	X-RAY DIFFRACTION	12	A	104 - 109
13	X-RAY DIFFRACTION	13	A	110 - 124
14	X-RAY DIFFRACTION	14	A	125 - 129
15	X-RAY DIFFRACTION	15	A	130 - 134
16	X-RAY DIFFRACTION	16	A	135 - 140
17	X-RAY DIFFRACTION	17	A	141 - 144
18	X-RAY DIFFRACTION	18	A	145 - 148
19	X-RAY DIFFRACTION	19	A	149 - 152
20	X-RAY DIFFRACTION	20	A	153 - 158
21	X-RAY DIFFRACTION	21	A	1001 - 1116
22	X-RAY DIFFRACTION	22	B	3 - 9
23	X-RAY DIFFRACTION	23	B	10 - 13
24	X-RAY DIFFRACTION	24	B	14 - 21
25	X-RAY DIFFRACTION	25	B	22 - 26
26	X-RAY DIFFRACTION	26	B	27 - 32
27	X-RAY DIFFRACTION	27	B	33 - 41
28	X-RAY DIFFRACTION	28	B	42 - 46
29	X-RAY DIFFRACTION	29	B	47 - 60
30	X-RAY DIFFRACTION	30	B	61 - 67
31	X-RAY DIFFRACTION	31	B	68 - 77
32	X-RAY DIFFRACTION	32	B	78 - 83
33	X-RAY DIFFRACTION	33	B	84 - 96
34	X-RAY DIFFRACTION	34	B	97 - 112
35	X-RAY DIFFRACTION	35	B	113 - 124
36	X-RAY DIFFRACTION	36	B	125 - 129
37	X-RAY DIFFRACTION	37	B	130 - 136
38	X-RAY DIFFRACTION	38	B	137 - 143
39	X-RAY DIFFRACTION	39	B	144 - 148
40	X-RAY DIFFRACTION	40	B	149 - 152
41	X-RAY DIFFRACTION	41	B	153 - 158
42	X-RAY DIFFRACTION	42	B	1001 - 1137

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