PDB-5hhl: Reverse transcriptase domain of group II intron maturase from Eub...

ID or keywords:

Entry

Database: PDB / ID: 5hhl

Title

Reverse transcriptase domain of group II intron maturase from Eubacterium rectale in P21 space group

Components

Retron-type reverse transcriptase

Keywords

RNA BINDING PROTEIN / Group II intron

Function / homology

Function and homology information

RNA-directed DNA polymerase activity
Similarity search - Function

Biological species

Eubacterium rectale M104/1 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.1 Å

Authors

Zhao, C. / Pyle, A.M.

Funding support

United States, 1items

Citation

Journal: Nat.Struct.Mol.Biol. / Year: 2016
Title: Crystal structures of a group II intron maturase reveal a missing link in spliceosome evolution.
Authors: Zhao, C. / Pyle, A.M.

History

Deposition	Jan 11, 2016	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 4, 2016	Provider: repository / Type: Initial release
Revision 1.1	May 25, 2016	Group: Database references
Revision 1.2	Jun 22, 2016	Group: Database references
Revision 1.3	Sep 27, 2017	Group: Author supporting evidence / Derived calculations / Category: pdbx_audit_support / pdbx_struct_oper_list Item: _pdbx_audit_support.funding_organization / _pdbx_struct_oper_list.symmetry_operation
Revision 1.4	Dec 25, 2019	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5	Sep 27, 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 / pdbx_struct_conn_angle / struct_conn 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_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_ptnr2_label_alt_id / _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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5hhl.cif.gz	935.5 KB	Display	PDBx/mmCIF format
PDB format	pdb5hhl.ent.gz	786 KB	Display	PDB format
PDBx/mmJSON format	5hhl.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	5hhl_validation.pdf.gz	476.7 KB	Display	wwPDB validaton report
Full document	5hhl_full_validation.pdf.gz	488.7 KB	Display
Data in XML	5hhl_validation.xml.gz	89.6 KB	Display
Data in CIF	5hhl_validation.cif.gz	125.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/hh/5hhl ftp://data.pdbj.org/pub/pdb/validation_reports/hh/5hhl	HTTPS FTP

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Related structure data

Related structure data	5hhjSC 5hhkC 5irfC 5irgC C: citing same article (ref.) S: Starting model for refinement
Similar structure data	6guf-1 5irg-1 2jgz-d 5hhj-d 5hhk-d 2wmb-1 4zy4-d 3eoc-1 5irg-2 1h1p-2 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

5hhjSC

5hhkC

5irfC

5irgC

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	#65 - May 2005 Self-splicing RNA similarity (1)

Deposited unit

A: Retron-type reverse transcriptase

B: Retron-type reverse transcriptase

C: Retron-type reverse transcriptase

D: Retron-type reverse transcriptase

E: Retron-type reverse transcriptase

F: Retron-type reverse transcriptase

G: Retron-type reverse transcriptase

H: Retron-type reverse transcriptase

hetero molecules

266 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Retron-type reverse transcriptase

B: Retron-type reverse transcriptase

hetero molecules

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

2

C: Retron-type reverse transcriptase

H: Retron-type reverse transcriptase

hetero molecules

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

3

D: Retron-type reverse transcriptase

E: Retron-type reverse transcriptase

hetero molecules

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

4

F: Retron-type reverse transcriptase

G: Retron-type reverse transcriptase

hetero molecules

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

Unit cell

Length a, b, c (Å)	74.830, 119.860, 161.470
Angle α, β, γ (deg.)	90.00, 92.08, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Retron-type reverse transcriptase Mass: 33217.070 Da / Num. of mol.: 8 / Fragment: UNP residues 1-292 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Eubacterium rectale M104/1 (bacteria) / Gene: ERE_01490 / Production host: Escherichia coli (E. coli) / References: UniProt: D4JMT6
#2: Chemical	ChemComp-K / POTASSIUM ION Mass: 39.098 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: K
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1250 / 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: 2.72 Å³/Da / Density % sol: 54.83 %
Crystal grow	Temperature: 291.15 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 100 mM MES/imidazole pH 6.5, 20 mM sodium formate, 20 mM NH4OAc, 20 mM trisodium citrate, 20 mM sodium potassium L-tartrate, 20 mM sodium oxamate, 10 % PEG 8000, 20 % EG

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.97918 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Dec 4, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97918 Å / Relative weight: 1
Reflection	Resolution: 2.1→49.143 Å / Num. obs: 165153 / % possible obs: 100 % / Redundancy: 3.8 % / Net I/σ(I): 8.12

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Processing

Software

Name	Version	Classification
PHENIX	(dev_2254: ???)	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5HHJ

5hhj

Resolution: 2.1→49.143 Å / SU ML: 0.29 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 25.76 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2377	8256	5 %
R_work	0.2008	-	-
obs	0.2027	165139	99.61 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 2.1→49.143 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	18416	0	8	1250	19674

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.001	18819
X-RAY DIFFRACTION	f_angle_d	0.424	25357
X-RAY DIFFRACTION	f_dihedral_angle_d	11.974	11611
X-RAY DIFFRACTION	f_chiral_restr	0.041	2782
X-RAY DIFFRACTION	f_plane_restr	0.003	3330

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 (%)
2.1-2.1239	0.3449	246	0.3136	4728	X-RAY DIFFRACTION	91
2.1239-2.1489	0.3269	277	0.2968	5250	X-RAY DIFFRACTION	100
2.1489-2.1751	0.3198	273	0.293	5225	X-RAY DIFFRACTION	100
2.1751-2.2026	0.3332	276	0.2814	5224	X-RAY DIFFRACTION	100
2.2026-2.2316	0.3229	275	0.2696	5214	X-RAY DIFFRACTION	100
2.2316-2.2622	0.3182	274	0.2601	5249	X-RAY DIFFRACTION	100
2.2622-2.2945	0.2744	273	0.2488	5168	X-RAY DIFFRACTION	100
2.2945-2.3287	0.2685	278	0.2443	5280	X-RAY DIFFRACTION	100
2.3287-2.3651	0.3254	273	0.249	5205	X-RAY DIFFRACTION	100
2.3651-2.4039	0.2903	279	0.2463	5280	X-RAY DIFFRACTION	100
2.4039-2.4453	0.2686	274	0.231	5214	X-RAY DIFFRACTION	100
2.4453-2.4898	0.2718	280	0.2312	5249	X-RAY DIFFRACTION	100
2.4898-2.5377	0.284	272	0.2322	5207	X-RAY DIFFRACTION	100
2.5377-2.5895	0.2836	278	0.2277	5267	X-RAY DIFFRACTION	100
2.5895-2.6458	0.2886	271	0.2352	5205	X-RAY DIFFRACTION	100
2.6458-2.7073	0.2689	279	0.2213	5234	X-RAY DIFFRACTION	100
2.7073-2.775	0.2733	279	0.2222	5297	X-RAY DIFFRACTION	100
2.775-2.8501	0.2477	273	0.2105	5190	X-RAY DIFFRACTION	100
2.8501-2.9339	0.2858	272	0.2224	5254	X-RAY DIFFRACTION	100
2.9339-3.0286	0.2599	280	0.22	5243	X-RAY DIFFRACTION	100
3.0286-3.1368	0.2563	277	0.2226	5276	X-RAY DIFFRACTION	100
3.1368-3.2624	0.2847	276	0.2171	5234	X-RAY DIFFRACTION	100
3.2624-3.4108	0.2288	276	0.205	5243	X-RAY DIFFRACTION	100
3.4108-3.5906	0.2366	277	0.1914	5252	X-RAY DIFFRACTION	100
3.5906-3.8155	0.2174	276	0.1809	5255	X-RAY DIFFRACTION	100
3.8155-4.11	0.2048	277	0.169	5270	X-RAY DIFFRACTION	100
4.11-4.5233	0.1891	275	0.1537	5253	X-RAY DIFFRACTION	100
4.5233-5.1772	0.1663	281	0.1475	5298	X-RAY DIFFRACTION	100
5.1772-6.5203	0.2071	278	0.1765	5287	X-RAY DIFFRACTION	100
6.5203-49.1567	0.1904	281	0.1726	5332	X-RAY DIFFRACTION	99

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	0.4684	-0.4348	-0.0417	0.601	-0.1609	0.2026	-0.0792	-0.0018	0.3036	-0.2129	-0.0707	-0.1612	-0.2997	-0.0215	-0	0.4318	-0.0367	-0.0139	0.4884	0.04	0.3822	46.2935	99.6848	77.1048
2	0.2358	-0.0887	0.0611	0.3303	0.1416	0.1056	-0.049	-0.0362	0.002	-0.0665	-0.1827	-0.2171	0.2783	0.1349	-0	0.3318	-0.0427	0.0142	0.5122	0.0444	0.4158	51.9621	88.2047	89.6972
3	0.2628	0.2457	-0.2213	1.1924	-0.1864	0.6224	-0.0407	0.0281	-0.0571	-0.0977	-0.0226	-0.1362	0.0694	0.0377	0	0.2655	-0.0359	0.0116	0.4032	0.0248	0.3241	39.4037	77.8429	81.0303
4	0.4697	0.3429	-0.2589	0.3077	-0.3948	0.8907	-0.0688	-0.0741	-0.1749	-0.221	0.05	-0.3409	0.3129	0.1545	0.0519	0.2205	0.0343	0.083	0.3012	-0.0388	0.4606	40.4578	57.8929	83.3898
5	0.3136	0.1105	-0.0301	0.2255	-0.1682	0.1359	0.1048	-0.1351	-0.116	0.1487	-0.1085	-0.0537	-0.0743	0.1182	-0.0021	0.1796	-0.0329	0.024	0.2702	0.0324	0.3154	31.3324	67.7639	95.4107
6	0.3299	-0.1595	-0.1888	0.3318	0.06	0.1761	-0.0317	0.1886	-0.282	-0.385	0.057	0.3739	0.3649	0.0428	-0.007	0.4174	-0.0894	-0.0627	0.5507	0.0373	0.521	1.2928	68.5185	83.4926
7	0.0705	-0.1295	-0.0869	0.2756	0.2196	0.2104	-0.053	-0.1307	-0.0707	0.1099	0.257	0.3275	0.1039	0.0018	0.0059	0.2635	-0.014	0.0116	0.5763	0.0778	0.426	2.5892	75.997	99.3808
8	0.5077	0.2513	0.2096	0.6962	0.1145	0.7286	-0.0311	0.0868	0.0497	-0.0719	0.0274	0.238	-0.0977	-0.1581	0.0111	0.2475	-0.0308	-0.031	0.4171	0.0359	0.3624	10.6614	89.5142	89.7084
9	0.1256	0.1261	-0.0118	0.2185	0.0883	0.1036	-0.1546	-0.0728	0.3537	0.1462	0.0624	0.0873	-0.3245	-0.222	0	0.3396	0.0315	-0.015	0.3939	0.0122	0.3698	14.8378	102.5977	100.183
10	0.0482	-0.0597	0.0621	0.0752	-0.0773	0.0815	-0.2258	-0.1059	-0.271	0.12	0.1167	-0.0581	-0.1181	-0.2065	-0.0162	0.2072	-0.0937	0.0168	0.2516	0.0349	0.2718	35.2068	92.4939	99.9591
11	0.0586	-0.078	0.159	0.1366	-0.282	0.5863	-0.2184	-0.3778	0.1009	0.4502	0.046	-0.0711	-0.2037	0.0964	-0.2721	0.7824	0.0685	-0.0737	0.4642	-0.108	0.2951	29.8377	88.3599	173.7189
12	0.6106	0.1292	0.6555	0.0273	0.139	0.7035	-0.4489	-0.4494	0.5239	0.4017	-0.03	0.0552	-0.609	-0.3774	-0.7728	0.8337	0.1818	-0.158	0.3846	-0.1162	0.4303	23.2406	97.6751	166.7928
13	1.2385	0.9154	0.2419	0.6851	0.1851	0.1663	-0.5201	0.0153	0.0958	0.0934	0.1634	0.3871	-0.3249	-0.2149	-0.4172	0.5663	0.1444	0.056	0.3824	-0.0769	0.314	18.0562	86.7596	155.4941
14	0.3336	-0.1913	0.4417	0.7153	-0.3719	1.0801	-0.1106	-0.124	0.02	0.1537	0.0921	-0.0033	-0.0888	-0.1852	-0	0.4272	0.0173	0.046	0.279	-0.0143	0.2406	25.9892	71.2181	161.4442
15	0.209	-0.2351	0.0899	0.2897	-0.0589	0.1039	-0.1065	-0.0569	-0.0522	-0.0362	0.1219	0.2555	0.1447	-0.319	0.0006	0.3648	-0.0808	0.0575	0.2704	-0.0084	0.2478	21.0201	58.0576	151.4799
16	0.052	-0.0184	0.0093	0.0501	0.033	0.0309	-0.1325	0.1883	0.3049	0.0989	0.2037	-0.0082	0.0344	-0.0898	0.0001	0.4085	-0.0161	0.04	0.294	-0.0118	0.3408	41.483	62.0825	141.7275
17	0.8366	0.2259	-0.7068	1.1053	0.0793	0.6793	-0.1087	0.589	0.0844	-0.2093	0.1035	-0.0352	-0.2472	-0.2487	-0.2383	0.3209	0.0237	-0.0828	0.2532	0.0541	0.4382	16.873	122.7482	115.8877
18	0.9409	-0.2039	0.2762	0.7492	-0.0009	0.6854	-0.0588	0.0352	0.0593	0.0927	0.0121	0.1166	-0.0766	-0.0383	-0.0152	0.1813	-0.0408	-0.0022	0.1169	-0.015	0.2397	28.4018	113.621	135.8673
19	0.2386	-0.1102	0.0106	0.3207	0.0012	0.0001	0.0811	-0.1144	0.1913	0.2666	-0.1433	-0.1373	-0.5364	0.3681	0.0044	0.4187	-0.1737	-0.0333	0.3292	-0.0753	0.4323	62.7731	119.9497	136.9909
20	0.8449	0.7788	-0.1102	1.9753	0.8679	0.7657	0.065	-0.1654	-0.0162	0.6005	-0.1319	-0.3764	0.0561	0.2842	-0.6049	0.2967	-0.1427	-0.123	0.3264	-0.0116	0.3985	68.1439	108.4439	142.0676
21	0.0471	-0.0812	0.1282	0.3176	-0.0762	0.4683	-0.0561	-0.2021	0.0425	-0.1152	-0.0856	-0.0384	0.1538	0.1713	0.0055	0.2616	-0.0719	-0.0369	0.4519	-0.0698	0.5406	64.0989	100.193	128.441
22	0.3128	-0.0432	0.358	0.8406	-0.1449	0.5271	-0.0751	0.2226	-0.0117	-0.0487	-0.0101	-0.0815	-0.1939	0.1902	-0	0.2948	-0.0946	-0.0201	0.3593	-0.0369	0.3102	56.7178	114.2248	119.56
23	0.0588	-0.0325	0.0201	0.0174	-0.0156	0.0402	0.0867	-0.1452	-0.0241	0.1841	0.0369	-0.0248	0.1461	0.0562	0.0001	0.3213	-0.0155	-0.0119	0.403	-0.0625	0.3688	53.6135	103.8111	126.0639
24	0.1332	-0.1027	-0.0369	0.0784	0.0285	0.0097	0.0564	0.1794	0.2286	-0.3087	-0.1077	0.1016	-0.0745	0.0541	-0	0.3308	-0.0733	-0.0215	0.3329	0.011	0.2695	51.4788	114.5745	110.9605
25	0.0408	-0.0416	-0.0332	0.0423	0.0338	0.0266	-0.0075	0.1144	0.0124	-0.514	-0.0618	-0.1671	-0.3879	0.1557	0	0.4636	-0.0048	0.0573	0.5824	-0.0165	0.3176	52.2424	109.9316	98.6239
26	0.1135	-0.1428	-0.0624	0.2001	0.0846	0.0771	-0.0598	0.0013	-0.2429	-0.0221	0.0667	0.0412	0.2331	-0.0131	0.0001	0.2469	0.0026	-0.0318	0.49	-0.0832	0.2856	49.194	102.9212	107.3776
27	0.044	0.0244	-0.0217	0.0151	-0.0021	0.0629	0.0194	-0.4107	-0.188	0.139	-0.0999	-0.0529	0.0032	0.0504	-0	0.3457	-0.056	-0.0388	0.5312	-0.0628	0.3748	30.2575	103.5797	113.6277
28	0.9443	0.4083	-0.1082	0.1776	-0.0476	0.0186	-0.2961	0.4003	-0.1358	0.1382	0.2451	0.0024	0.2763	-0.1018	-0.0585	0.7001	0.0279	0.0117	0.4799	-0.1141	0.368	39.635	31.3786	97.8007
29	1.3469	0.8031	0.1081	1.004	0.2781	0.0948	-0.2151	0.6954	0.0439	-0.9682	0.2051	-0.0945	-0.1161	0.0475	-0.0957	0.7321	-0.0403	0.0751	0.5514	-0.0708	0.3365	45.3357	40.9481	90.5733
30	0.1679	0.1388	-0.1187	0.118	-0.118	0.1798	-0.0402	0.3592	-0.2383	-0.0446	-0.1145	-0.1083	0.2199	0.5744	0.0022	0.5583	0.025	0.0297	0.4377	-0.0458	0.4603	51.5112	46.7971	102.1501
31	0.2765	0.2066	0.2553	0.1743	0.212	0.2533	0.0348	0.1802	-0.1349	-0.0283	-0.0432	0.0554	0.2186	-0.0193	0	0.4795	0.0132	0.0208	0.2952	-0.0492	0.3136	37.4532	37.1312	115.2173
32	0.0628	0.0391	0.0212	0.116	0.0833	0.0603	0.2573	0.2506	0.0596	0.1806	-0.0079	-0.0997	-0.196	0.167	-0	0.4879	0.0259	0.0402	0.5308	-0.0662	0.339	46.9351	45.2982	126.5698
33	0.0889	0.0019	0.0256	0.0102	0.0176	0.0344	0.1609	0.2873	-0.0518	0.0709	0.1012	-0.1568	0.2536	0.4717	0.002	0.5655	0.2267	-0.0348	0.5576	-0.1226	0.496	54.3969	30.3939	109.1904
34	0.0299	0.0314	0.0319	0.0338	0.0342	0.0341	-0.0004	-0.0374	0.1464	-0.0613	0.1073	-0.0928	0.0954	0.0607	-0	0.4692	-0.0044	0.0062	0.4658	-0.0303	0.3607	41.4957	48.1842	110.7499
35	0.0764	0.0126	0.0533	0.029	-0.0002	0.0393	0.1089	0.0304	-0.2255	0.1153	-0.1036	0.0018	0.1098	0.2314	0	0.5026	0.0444	-0.0104	0.3144	-0.0355	0.3203	43.6621	37.6693	125.9157
36	0.0318	0.0281	0.0248	0.0249	0.0202	0.0248	0.1568	0.0641	-0.0806	0.4046	-0.075	-0.3606	0.2676	0.14	0.0001	0.5614	0.0355	-0.0561	0.484	-0.0257	0.3946	51.338	41.4915	136.1589
37	0.1178	0.0955	0.0122	0.0884	0.03	0.0338	0.0027	0.1223	0.0384	0.1027	0.1707	-0.1144	-0.1077	0.1421	-0.0001	0.4108	-0.0352	0.0241	0.3837	-0.0635	0.3292	46.5636	49.2579	129.0593
38	0.0177	-0.0204	-0.0022	0.0879	0.0287	0.0149	0.0157	0.1588	0.1649	0.0178	-0.0892	-0.1104	-0.042	-0.124	-0.0001	0.4346	-0.0425	0.043	0.3168	-0.0328	0.2977	27.5192	54.34	132.3464
39	1.2148	0.3256	0.0263	1.4699	-0.2796	0.0582	0.3379	-0.5922	-0.1336	0.6443	-0.2005	0.1008	0.384	-0.534	0.1959	0.8202	-0.3104	0.0925	0.5123	0.0642	0.4176	10.9309	36.2845	140.4819
40	0.4147	0.0072	-0.0316	0.1623	-0.1604	0.1652	-0.0572	-0.1253	-0.0215	0.1059	-0.0782	0.132	0.3421	-0.2888	-0.7588	0.4323	-0.2058	0.1816	0.5056	-0.0215	0.4201	7.8182	52.2801	133.4527
41	0.6712	0.0443	0.1934	0.5144	0.1716	1.1891	0.1018	0	-0.0141	0.166	-0.1326	0.1299	0.1896	-0.2954	0.0889	0.2341	-0.0931	0.071	0.2437	-0.0136	0.2592	12.5948	46.8052	114.1654
42	0.6121	0.4872	0.4745	0.3945	0.2987	2.7464	0.0806	-0.0106	-0.3649	0.7626	0.2291	-0.7181	0.7349	-0.0799	-0.2327	0.6905	0.1104	-0.2752	0.4504	0.0666	0.5218	60.4005	53.5766	152.7013
43	0.4882	-0.055	0.0418	0.039	0.079	0.3461	-0.019	-0.1657	0.0052	0.6546	0.0147	-0.7534	0.1629	0.1716	-0.0138	0.4293	0.0271	-0.2203	0.2735	0.0434	0.5369	57.3856	74.0257	155.2794
44	0.2982	-0.1014	-0.1955	0.3169	0.0161	0.1336	0.0354	0.1663	0.0379	0.0667	-0.0298	-0.4228	-0.0954	0.1581	0.0099	0.309	-0.0747	-0.0443	0.2605	0.0244	0.5475	51.5912	88.9184	147.372

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 56 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 57 through 84 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 85 through 234 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 235 through 251 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 252 through 292 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 3 through 56 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 57 through 84 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 85 through 234 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 235 through 274 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 275 through 292 )
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 3 through 26 )
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 27 through 56 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 57 through 84 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 85 through 234 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 235 through 274 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 275 through 291 )
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 1 through 84 )
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 85 through 292 )
19	X-RAY DIFFRACTION	19	chain 'E' and (resid 3 through 26 )
20	X-RAY DIFFRACTION	20	chain 'E' and (resid 27 through 56 )
21	X-RAY DIFFRACTION	21	chain 'E' and (resid 57 through 84 )
22	X-RAY DIFFRACTION	22	chain 'E' and (resid 85 through 177 )
23	X-RAY DIFFRACTION	23	chain 'E' and (resid 178 through 198 )
24	X-RAY DIFFRACTION	24	chain 'E' and (resid 199 through 234 )
25	X-RAY DIFFRACTION	25	chain 'E' and (resid 235 through 251 )
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 252 through 274 )
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 275 through 291 )
28	X-RAY DIFFRACTION	28	chain 'F' and (resid 4 through 26 )
29	X-RAY DIFFRACTION	29	chain 'F' and (resid 27 through 56 )
30	X-RAY DIFFRACTION	30	chain 'F' and (resid 57 through 84 )
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 85 through 131 )
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 132 through 150 )
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 151 through 177 )
34	X-RAY DIFFRACTION	34	chain 'F' and (resid 178 through 198 )
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 199 through 234 )
36	X-RAY DIFFRACTION	36	chain 'F' and (resid 235 through 251 )
37	X-RAY DIFFRACTION	37	chain 'F' and (resid 252 through 274 )
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 275 through 291 )
39	X-RAY DIFFRACTION	39	chain 'G' and (resid 4 through 56 )
40	X-RAY DIFFRACTION	40	chain 'G' and (resid 57 through 84 )
41	X-RAY DIFFRACTION	41	chain 'G' and (resid 85 through 292 )
42	X-RAY DIFFRACTION	42	chain 'H' and (resid 2 through 84 )
43	X-RAY DIFFRACTION	43	chain 'H' and (resid 85 through 234 )
44	X-RAY DIFFRACTION	44	chain 'H' and (resid 235 through 291 )

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