PDB-4wp3: Crystal Structure of Adenylyl cyclase from Mycobacterium avium Ma...

ID or keywords:

Entry

Database: PDB / ID: 4wp3

Title

Crystal Structure of Adenylyl cyclase from Mycobacterium avium Ma1120 wild type

Components

Ma1120

Keywords

LYASE / Adenylyl cyclase

Function / homology

Function and homology information

adenylate cyclase / cAMP biosynthetic process / adenylate cyclase activity / intracellular signal transduction / metal ion binding
Similarity search - Function

Biological species

Mycobacterium avium (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.95 Å

Authors

Barathy, D.V. / Bharambe, N.G. / Suguna, K.

Citation

Journal: J.Struct.Biol. / Year: 2015
Title: Autoinhibitory mechanism and activity-related structural changes in a mycobacterial adenylyl cyclase
Authors: Barathy, D.V. / Bharambe, N.G. / Syed, W. / Zaveri, A. / Visweswariah, S.S. / Cola sigmaf o, M. / Misquith, S. / Suguna, K.

History

Deposition	Oct 17, 2014	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Sep 2, 2015	Provider: repository / Type: Initial release
Revision 1.1	Nov 8, 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 / citation / database_2 / pdbx_initial_refinement_model / pdbx_struct_oper_list Item: _citation.journal_id_CSD / _database_2.pdbx_DOI ..._citation.journal_id_CSD / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_oper_list.symmetry_operation

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4wp3.cif.gz	579.4 KB	Display	PDBx/mmCIF format
PDB format	pdb4wp3.ent.gz	488.7 KB	Display	PDB format
PDBx/mmJSON format	4wp3.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	4wp3_validation.pdf.gz	470.7 KB	Display	wwPDB validaton report
Full document	4wp3_full_validation.pdf.gz	476.3 KB	Display
Data in XML	4wp3_validation.xml.gz	41 KB	Display
Data in CIF	4wp3_validation.cif.gz	58.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/wp/4wp3 ftp://data.pdbj.org/pub/pdb/validation_reports/wp/4wp3	HTTPS FTP

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Related structure data

Related structure data	4wp8C 4wp9C 4wpaC 1fx4S 3et6S C: citing same article (ref.) S: Starting model for refinement
Similar structure data	6bqj-1 2qy7-1 3dxe-1 4jes-1 5lva-2 3f7s-d 3k3t-d 5mxb-d 6v8s-7 5mxw-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) 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

Related structure data

C: citing same article (ref.)

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#251 - Nov 2020 Adenylyl Cyclase similarity (7) #133 - Jan 2011 Nitric Oxide Synthase similarity (5) #58 - Oct 2004 G Proteins similarity (6) #28 - Apr 2002 Anthrax Toxin similarity (1) #44 - Aug 2003 Calmodulin similarity (1)

Deposited unit

A: Ma1120

B: Ma1120

C: Ma1120

D: Ma1120

E: Ma1120

F: Ma1120

hetero molecules

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

1

A: Ma1120

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

2

B: Ma1120

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

3

C: Ma1120

hetero molecules

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

4

D: Ma1120

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

5

E: Ma1120

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

6

F: Ma1120

hetero molecules

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

Unit cell

Length a, b, c (Å)	97.790, 53.870, 111.200
Angle α, β, γ (deg.)	90.00, 94.77, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Ma1120 / Cya1120 / Adenylyl cyclase Mass: 23236.340 Da / Num. of mol.: 6 / Fragment: UNP residues 13-222 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium avium (bacteria) / Strain: TN 104 / Gene: cya1120 / Plasmid: pPROExHT / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q5UFR5, adenylate cyclase
#2: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 459 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 2.09 Å³/Da / Density % sol: 41.25 %
Crystal grow	Temperature: 291 K / Method: microbatch / pH: 7.5 / Details: 0.1M HEPES, 25% PEG 3350

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 0.97625 Å
Detector	Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Jul 25, 2010
Radiation	Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97625 Å / Relative weight: 1
Reflection	Resolution: 1.95→35.22 Å / Num. obs: 84325 / % possible obs: 99.7 % / Redundancy: 5.2 % / Net I/σ(I): 0.075
Reflection shell	Resolution: 1.95→2.06 Å / R_merge(I) obs: 0.542 / Mean I/σ(I) obs: 3.2 / % possible all: 99.3

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Processing

Software

Name: PHENIX / Version: (phenix.refine: 1.9_1692) / Classification: refinement

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1fx4, 3et6

1fx4

3et6

Resolution: 1.95→35.21 Å / SU ML: 0.18 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 21.21 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2135	4203	4.99 %	Random selection
R_work	0.1783	-	-	-
obs	0.1801	84305	99.55 %	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 1.95→35.21 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7865	0	2	459	8326

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.005	8051
X-RAY DIFFRACTION	f_angle_d	0.774	10859
X-RAY DIFFRACTION	f_dihedral_angle_d	12.301	2861
X-RAY DIFFRACTION	f_chiral_restr	0.031	1249
X-RAY DIFFRACTION	f_plane_restr	0.003	1437

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
1.95-1.9722	0.2806	143	0.2307	2614	X-RAY DIFFRACTION	99
1.9722-1.9954	0.2818	149	0.2266	2715	X-RAY DIFFRACTION	99
1.9954-2.0197	0.2454	133	0.2117	2575	X-RAY DIFFRACTION	99
2.0197-2.0453	0.257	113	0.2102	2671	X-RAY DIFFRACTION	99
2.0453-2.0722	0.2542	148	0.2124	2646	X-RAY DIFFRACTION	99
2.0722-2.1005	0.2446	135	0.1991	2630	X-RAY DIFFRACTION	99
2.1005-2.1306	0.2523	162	0.1949	2612	X-RAY DIFFRACTION	99
2.1306-2.1623	0.217	132	0.1904	2658	X-RAY DIFFRACTION	99
2.1623-2.1961	0.2329	135	0.184	2608	X-RAY DIFFRACTION	99
2.1961-2.2321	0.192	145	0.1779	2706	X-RAY DIFFRACTION	99
2.2321-2.2706	0.2155	135	0.1757	2618	X-RAY DIFFRACTION	99
2.2706-2.3119	0.236	128	0.172	2676	X-RAY DIFFRACTION	99
2.3119-2.3564	0.2164	127	0.1774	2641	X-RAY DIFFRACTION	100
2.3564-2.4044	0.2219	142	0.1807	2653	X-RAY DIFFRACTION	100
2.4044-2.4567	0.2244	140	0.1787	2682	X-RAY DIFFRACTION	100
2.4567-2.5138	0.2386	138	0.1785	2660	X-RAY DIFFRACTION	100
2.5138-2.5767	0.2205	142	0.1853	2680	X-RAY DIFFRACTION	100
2.5767-2.6463	0.2181	131	0.1863	2663	X-RAY DIFFRACTION	100
2.6463-2.7242	0.2453	141	0.1852	2687	X-RAY DIFFRACTION	100
2.7242-2.8121	0.2159	139	0.1871	2649	X-RAY DIFFRACTION	100
2.8121-2.9125	0.2358	125	0.1863	2676	X-RAY DIFFRACTION	100
2.9125-3.0291	0.2169	133	0.1776	2695	X-RAY DIFFRACTION	100
3.0291-3.1669	0.2117	150	0.1871	2688	X-RAY DIFFRACTION	100
3.1669-3.3337	0.2317	159	0.1791	2637	X-RAY DIFFRACTION	100
3.3337-3.5424	0.2119	137	0.1751	2692	X-RAY DIFFRACTION	100
3.5424-3.8156	0.1785	149	0.165	2689	X-RAY DIFFRACTION	100
3.8156-4.199	0.1838	143	0.1467	2715	X-RAY DIFFRACTION	100
4.199-4.8053	0.1598	157	0.1421	2697	X-RAY DIFFRACTION	100
4.8053-6.0492	0.2365	137	0.1784	2753	X-RAY DIFFRACTION	100
6.0492-35.2199	0.2064	155	0.1962	2816	X-RAY DIFFRACTION	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	2.2013	2.5406	-2.6596	7.7765	0.2175	5.4603	0.0223	-0.1785	-0.4686	0.0302	-0.3346	-0.6723	0.4797	-0.2035	0.2198	0.2144	-0.133	0.0003	0.407	-0.0416	0.3645	27.0289	-21.6487	35.186
2	5.5011	-0.6782	5.3763	3.0867	-1.0478	5.8861	-0.3245	-0.4067	-0.1539	-0.3968	0.2009	0.162	-0.4253	-1.0271	0.2225	0.2577	-0.0292	-0.0164	0.3589	-0.0773	0.2136	25.0191	-8.5883	25.4248
3	2.3949	0.2661	1.4296	2.6595	-1.7958	2.8516	-0.2225	0.3262	-0.2664	-0.2646	-0.1443	-0.6518	0.1869	0.5841	0.3421	0.1916	-0.0502	0.0415	0.4241	-0.0589	0.3764	35.1084	-13.7221	26.4709
4	5.7014	-3.3025	4.4069	7.1718	-5.631	5.804	-0.1655	0.0095	0.3707	0.0798	-0.245	-0.8596	-0.5519	0.6555	0.5548	0.241	-0.1131	-0.0038	0.3745	-0.0277	0.4339	38.5642	-3.847	34.4482
5	3.632	0.8161	-0.4715	7.2793	-3.5926	7.1176	0.2346	-0.2284	-0.1329	0.4588	-0.4513	0.041	0.2107	0.3374	0.2906	0.2256	-0.0785	0.0308	0.3314	-0.094	0.2192	28.9953	-12.7448	41.4411
6	5.2065	-4.1913	3.7391	4.2403	-3.9951	3.8493	0.2526	-0.1362	-0.2487	0.3286	-0.3924	0.1778	0.1005	0.2539	0.0311	0.3714	-0.0568	0.0049	0.3699	-0.0293	0.2588	25.0202	-14.9926	41.8367
7	5.103	-0.3095	4.6252	2.0708	0.4432	6.3917	0.2859	-0.7096	0.1187	1.0777	-0.1617	-0.216	-0.8036	0.3879	0.0317	0.4404	-0.1501	-0.0667	0.4355	-0.0153	0.2306	30.9109	-4.2844	43.9306
8	3.1501	2.5742	0.721	7.6421	0.8714	5.0072	0.5507	-0.8481	0.7598	1.0559	-0.5619	0.541	-0.3033	0.0963	0.0688	0.4947	-0.1167	0.0705	0.4224	-0.1421	0.2874	26.8159	-3.1605	45.926
9	1.3533	2.0404	-2.0265	7.9398	-2.5522	3.1168	0.0416	0.1049	-0.0138	0.3732	0.2827	0.2327	-0.1944	-0.6842	-0.3351	0.223	0.0824	0.0525	0.3991	0.0389	0.1786	-21.2681	3.1321	42.8822
10	7.7899	1.6939	3.461	4.6945	-0.8807	2.6324	0.0994	-0.124	-0.1523	-0.1745	-0.0435	-0.2668	0.0828	-0.0349	0.0389	0.166	-0.0162	0.0644	0.3894	0.0133	0.1642	-15.462	5.7383	27.9769
11	3.5382	1.1189	-0.4574	5.5039	-2.0701	6.745	-0.1026	0.2235	0.2277	0.2352	-0.0035	-0.3008	-1.0315	0.3518	0.1088	0.308	-0.0168	-0.0024	0.2717	0.0368	0.197	-12.9052	11.3066	38.3639
12	2.9574	-0.8326	0.4427	3.2623	0.0985	4.355	-0.1001	-0.5296	0.3086	1.1747	0.2918	0.2498	-1.2945	-0.1405	-0.207	0.8471	0.1557	0.108	0.4193	0.0203	0.3187	-21.7851	15.357	51.133
13	3.2352	-0.9355	-0.345	3.5001	-1.2573	3.4415	-0.0764	-0.0001	0.0402	0.0177	0.1578	0.1849	-0.0132	-0.3353	-0.0644	0.0894	0.003	0.0045	0.1085	-0.0239	0.0942	-15.0453	5.2786	2.1025
14	3.6957	0.6456	-3.48	3.1745	-2.3518	4.5827	-0.8167	0.0094	-0.8233	-0.2273	0.1298	0.4925	1.5419	-0.6591	0.3318	0.438	-0.0906	0.1687	0.2169	0.0271	0.4353	-14.5549	-14.1482	15.9537
15	1.4482	0.3595	-0.5623	4.1489	-3.323	5.0149	-0.057	-0.199	-0.0018	0.2021	0.1024	-0.0035	-0.202	-0.0909	-0.012	0.1279	0.0117	0.0192	0.0738	-0.0473	0.1188	-8.0429	2.8503	12.8958
16	5.5102	-0.8486	0.5542	4.2845	-3.2582	3.1508	-0.161	-0.4593	-0.1929	0.3779	0.3756	-0.1738	0.0473	0.0247	0.1034	0.2018	0.0371	-0.0119	0.1191	-0.0401	0.1907	2.0714	-1.1625	8.4257
17	5.1541	-3.7068	1.7111	4.4045	-2.931	6.1945	-0.1424	-0.1475	-0.0167	0.0247	0.133	-0.0323	0.1323	0.1373	0.0554	0.1183	-0.0434	-0.027	0.0815	-0.0619	0.1103	-9.8647	1.9119	1.153
18	6.9768	-5.0158	3.0259	5.0858	-5.0869	7.0053	0.1077	0.2257	-0.0176	-0.071	-0.1039	0.1864	-0.0758	-0.3009	-0.0828	0.1017	-0.0138	0.0025	0.1272	-0.0211	0.113	-14.5771	1.6865	-4.9931
19	4.0466	0.5724	0.3573	4.1482	-5.3222	7.4674	-0.1359	0.2269	-0.056	-0.4397	0.0279	-0.3251	0.3103	0.3827	0.1732	0.1824	0.0012	0.0363	0.126	-0.0465	0.1788	-2.2545	-2.3788	-4.7474
20	5.99	-0.7691	3.3638	2.4638	0.545	6.4283	0.1885	0.6018	0.0881	-0.1469	-0.1507	-0.2522	0.1559	0.2502	-0.0734	0.1694	-0.003	0.0264	0.0951	0.0017	0.1394	-3.5507	-5.3365	-8.3778
21	4.0375	0.5106	-1.5513	5.2804	-1.7528	6.6645	-0.0746	0.1868	-0.1896	-0.1861	-0.0577	-0.219	-0.2347	0.1122	0.1287	0.1923	-0.0061	-0.0294	0.2221	-0.116	0.2507	22.9741	15.088	68.466
22	2.1758	-1.0482	-1.1118	4.482	-2.374	7.5393	0.1783	0.2969	-0.2734	-0.6188	-0.0927	0.0788	0.2854	0.3028	-0.1247	0.2762	0.0176	-0.068	0.3173	-0.138	0.3225	23.7077	8.3962	58.8821
23	4.3303	-1.1981	-2.5652	3.7258	1.0784	5.7466	-0.0867	0.0517	-0.4427	-0.1607	-0.0146	-0.1594	0.3697	0.4823	0.1526	0.1904	0.0152	-0.048	0.2423	-0.1033	0.3139	26.8833	6.3699	69.082
24	7.0916	0.9638	-6.5789	4.4345	-1.1914	7.1432	-0.1634	-0.5415	-0.2391	0.0125	-0.0237	-0.1158	-0.2275	0.2762	0.1183	0.1683	0.0115	-0.0149	0.2856	-0.0907	0.2539	24.1381	15.6374	78.0837
25	5.2538	-0.3169	-0.0199	2.7529	0.7688	5.073	0.0163	-0.1342	-0.4626	0.1283	0.1809	-0.4226	0.4018	0.4277	-0.2636	0.2176	0.0599	-0.0325	0.3533	-0.0814	0.4029	34.6251	9.5293	79.3166
26	5.5802	5.5022	7.113	5.4093	7.0517	9.3667	0.0948	0.2559	-0.1233	0.0772	0.0238	-0.1434	0.2595	0.3503	-0.1363	0.1965	-0.0156	0.0329	0.3236	0.014	0.2586	67.9403	1.7097	4.6669
27	5.4253	0.071	-2.1855	2.969	-4.0355	6.279	0.3735	-0.1046	0.4429	0.1368	-0.0798	0.2288	0.0888	-0.2932	-0.3974	0.2685	-0.0009	0.0715	0.2514	0.0584	0.3214	60.0231	5.9313	8.1552
28	4.0584	1.4388	1.0073	3.9773	-0.6247	3.2405	0.1336	0.6227	1.1017	-0.5404	0.0744	0.9263	-0.3197	-0.4374	-0.1566	0.3166	0.0661	-0.0069	0.4133	0.1942	0.5909	54.7113	10.0856	0.3708
29	7.3221	-1.234	5.064	7.2048	-3.5492	8.5728	0.5733	0.359	-0.3826	-0.4383	0.3716	0.9458	0.4075	-0.9988	-0.902	0.2262	0.0324	0.0276	0.4465	0.1046	0.4958	51.5191	3.5999	3.9215
30	6.9672	0.3582	4.5918	2.5602	-1.6529	7.0019	0.5249	-0.6511	-0.7307	0.4602	-0.2256	-0.3477	0.0286	-0.0137	-0.3299	0.2787	-0.1029	-0.032	0.3528	0.1323	0.3991	62.8815	-1.2725	18.2122
31	4.6978	-0.5535	-0.9852	5.2958	-0.6218	4.4694	0.3794	-0.2507	0.2962	0.8694	-0.2873	1.156	0.2888	-0.8094	-0.2339	0.3372	-0.173	0.1092	0.4845	0.0393	0.5523	49.1175	0.5899	13.5731
32	6.6054	2.4841	0.3769	5.7233	1.5942	4.8807	0.258	-0.6764	-0.749	1.167	-0.1216	0.6558	0.4976	-0.9389	-0.0983	0.4292	-0.1876	0.0432	0.4529	0.1266	0.56	50.2335	-4.6279	15.2095
33	5.3093	4.5592	-4.91	3.9367	-4.2565	4.7497	0.1206	0.1	0.1787	0.0192	0.0365	-0.1591	-1.0937	0.2833	-0.2109	0.3835	-0.1049	0.0292	0.274	-0.0567	0.2172	18.5007	26.324	31.8538
34	8.1655	0.5917	-2.4735	4.3175	0.5844	8.3161	0.1911	0.3605	0.1006	-0.471	0.002	-0.3596	0.051	0.3298	-0.0823	0.3049	0.051	-0.0401	0.1694	0.0204	0.181	17.4788	15.6422	26.3243
35	2.7034	-0.3705	-0.6524	5.0377	2.9372	7.7829	0.0363	-0.4657	0.0858	0.4635	0.1003	-0.0767	0.4135	0.5221	-0.0818	0.4357	0.048	-0.0489	0.266	-0.0165	0.169	16.6464	14.7004	45.2814
36	3.9994	0.5698	-1.504	6.0485	2.309	3.7348	0.0241	-0.0253	-0.2049	0.1777	0.2413	-0.5024	0.9402	0.9727	-0.3796	0.3181	0.1026	-0.077	0.239	-0.0102	0.1787	20.229	13.736	31.3763
37	4.6168	-0.1574	-0.3143	0.8225	-0.7115	1.3177	-0.1947	-0.3965	-0.6188	0.3782	-0.2541	0.1646	1.5768	-0.1221	0.6611	0.7412	-0.049	0.0418	0.2629	0.0321	0.2816	10.1489	4.5749	34.5418
38	4.8317	-0.499	-1.21	4.6257	-0.1531	5.3928	0.2366	-0.1053	0.575	0.0685	0.1212	-0.1855	-0.1676	0.3685	-0.2423	0.2624	-0.0334	-0.0644	0.1843	-0.0155	0.249	13.8441	18.0508	27.7552
39	8.499	5.7363	-6.0648	5.4395	-4.8379	4.6895	0.0979	0.7347	0.2268	-0.0216	0.1043	0.1092	-0.6788	-0.5555	-0.2176	0.2533	-0.0047	-0.0361	0.2428	0.0115	0.1449	10.5461	21.8293	25.1112
40	4.8268	0.0343	-1.8851	1.9985	0.2654	7.661	-0.0667	0.1706	-0.2836	-0.0843	-0.0831	0.0543	1.1443	-0.5082	0.2095	0.336	-0.0901	-0.0638	0.2047	0.0228	0.1876	5.0377	12.3004	24.5519
41	6.1616	3.4591	-3.1848	8.1041	1.6818	5.2267	0.1341	-0.4812	-1.9466	-0.4072	0.0467	0.3054	1.2114	-0.1054	-0.1405	0.7679	-0.1746	-0.1714	0.3709	0.0833	0.51	2.1237	4.0755	22.2652
42	3.7195	3.3461	-0.5602	4.1386	-3.2303	8.8792	-0.2456	0.3238	0.8997	0.4235	0.2186	-0.0692	-0.5787	-0.7665	0.042	0.2697	0.0441	-0.0257	0.2992	0.0321	0.388	2.3771	24.7031	21.6849
43	7.4498	0.6454	-0.9404	1.7635	1.7219	2.0283	0.1542	-0.3038	-0.2368	-0.1864	0.2589	0.9412	0.927	-0.5093	-0.5108	0.3524	-0.1223	-0.0702	0.2807	0.0106	0.2416	1.2927	12.3466	24.3301

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	CHAIN A AND (RESID 28 THROUGH 55 )	A	28 - 55
2	X-RAY DIFFRACTION	2	CHAIN A AND (RESID 56 THROUGH 73 )	A	56 - 73
3	X-RAY DIFFRACTION	3	CHAIN A AND (RESID 74 THROUGH 113)	A	74 - 113
4	X-RAY DIFFRACTION	4	CHAIN A AND (RESID 114 THROUGH 129)	A	114 - 129
5	X-RAY DIFFRACTION	5	CHAIN A AND (RESID 130 THROUGH 157)	A	130 - 157
6	X-RAY DIFFRACTION	6	CHAIN A AND (RESID 158 THROUGH 172)	A	158 - 172
7	X-RAY DIFFRACTION	7	CHAIN A AND (RESID 173 THROUGH 188)	A	173 - 188
8	X-RAY DIFFRACTION	8	CHAIN A AND (RESID 189 THROUGH 218)	A	189 - 218
9	X-RAY DIFFRACTION	9	CHAIN B AND (RESID 29 THROUGH 64 )	B	29 - 64
10	X-RAY DIFFRACTION	10	CHAIN B AND (RESID 65 THROUGH 95 )	B	65 - 95
11	X-RAY DIFFRACTION	11	CHAIN B AND (RESID 96 THROUGH 148)	B	96 - 148
12	X-RAY DIFFRACTION	12	CHAIN B AND (RESID 149 THROUGH 217)	B	149 - 217
13	X-RAY DIFFRACTION	13	CHAIN C AND (RESID 28 THROUGH 62 )	C	28 - 62
14	X-RAY DIFFRACTION	14	CHAIN C AND (RESID 63 THROUGH 73 )	C	63 - 73
15	X-RAY DIFFRACTION	15	CHAIN C AND (RESID 74 THROUGH 113)	C	74 - 113
16	X-RAY DIFFRACTION	16	CHAIN C AND (RESID 114 THROUGH 133)	C	114 - 133
17	X-RAY DIFFRACTION	17	CHAIN C AND (RESID 134 THROUGH 156)	C	134 - 156
18	X-RAY DIFFRACTION	18	CHAIN C AND (RESID 157 THROUGH 172)	C	157 - 172
19	X-RAY DIFFRACTION	19	CHAIN C AND (RESID 173 THROUGH 188)	C	173 - 188
20	X-RAY DIFFRACTION	20	CHAIN C AND (RESID 189 THROUGH 218)	C	189 - 218
21	X-RAY DIFFRACTION	21	CHAIN D AND (RESID 29 THROUGH 76 )	D	29 - 76
22	X-RAY DIFFRACTION	22	CHAIN D AND (RESID 77 THROUGH 103)	D	77 - 103
23	X-RAY DIFFRACTION	23	CHAIN D AND (RESID 104 THROUGH 156)	D	104 - 156
24	X-RAY DIFFRACTION	24	CHAIN D AND (RESID 157 THROUGH 172)	D	157 - 172
25	X-RAY DIFFRACTION	25	CHAIN D AND (RESID 173 THROUGH 217)	D	173 - 217
26	X-RAY DIFFRACTION	26	CHAIN E AND (RESID 28 THROUGH 42 )	E	28 - 42
27	X-RAY DIFFRACTION	27	CHAIN E AND (RESID 43 THROUGH 64 )	E	43 - 64
28	X-RAY DIFFRACTION	28	CHAIN E AND (RESID 65 THROUGH 129)	E	65 - 129
29	X-RAY DIFFRACTION	29	CHAIN E AND (RESID 130 THROUGH 148)	E	130 - 148
30	X-RAY DIFFRACTION	30	CHAIN E AND (RESID 149 THROUGH 172)	E	149 - 172
31	X-RAY DIFFRACTION	31	CHAIN E AND (RESID 173 THROUGH 187)	E	173 - 187
32	X-RAY DIFFRACTION	32	CHAIN E AND (RESID 188 THROUGH 217)	E	188 - 217
33	X-RAY DIFFRACTION	33	CHAIN F AND (RESID 29 THROUGH 42 )	F	29 - 42
34	X-RAY DIFFRACTION	34	CHAIN F AND (RESID 43 THROUGH 64 )	F	43 - 64
35	X-RAY DIFFRACTION	35	CHAIN F AND (RESID 65 THROUGH 95 )	F	65 - 95
36	X-RAY DIFFRACTION	36	CHAIN F AND (RESID 96 THROUGH 113)	F	96 - 113
37	X-RAY DIFFRACTION	37	CHAIN F AND (RESID 114 THROUGH 131)	F	114 - 131
38	X-RAY DIFFRACTION	38	CHAIN F AND (RESID 132 THROUGH 160)	F	132 - 160
39	X-RAY DIFFRACTION	39	CHAIN F AND (RESID 161 THROUGH 172)	F	161 - 172
40	X-RAY DIFFRACTION	40	CHAIN F AND (RESID 173 THROUGH 187)	F	173 - 187
41	X-RAY DIFFRACTION	41	CHAIN F AND (RESID 188 THROUGH 199)	F	188 - 199
42	X-RAY DIFFRACTION	42	CHAIN F AND (RESID 200 THROUGH 210)	F	200 - 210
43	X-RAY DIFFRACTION	43	CHAIN F AND (RESID 211 THROUGH 219)	F	211 - 219

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