PDB-6b7k: GH43 Endo-Arabinanase from Bacillus licheniformis

ID or keywords:

Entry

Database: PDB / ID: 6b7k

Title

GH43 Endo-Arabinanase from Bacillus licheniformis

Components

Endo-alpha-(1->5)-L-arabinanase

Keywords

HYDROLASE / Arabinanase / Bacillus licheniformis / GH43

Function / homology

Function and homology information

arabinan endo-1,5-alpha-L-arabinanase / arabinan endo-1,5-alpha-L-arabinosidase activity / arabinan catabolic process / metal ion binding
Similarity search - Function

Biological species

Bacillus licheniformis (bacteria)

Method

X-RAY DIFFRACTION /

MOLECULAR REPLACEMENT / Resolution: 2.55 Å

Authors

Farro, E.G.S. / Nascimento, A.S.

Funding support

Brazil, 2items

Citation

Journal: Int. J. Biol. Macromol. / Year: 2018
Title: GH43 endo-arabinanase from Bacillus licheniformis: Structure, activity and unexpected synergistic effect on cellulose enzymatic hydrolysis.
Authors: Farro, E.G.S. / Leite, A.E.T. / Silva, I.A. / Filgueiras, J.G. / de Azevedo, E.R. / Polikarpov, I. / Nascimento, A.S.

History

Deposition	Oct 4, 2017	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 13, 2018	Provider: repository / Type: Initial release
Revision 1.1	Apr 17, 2019	Group: Author supporting evidence / Data collection / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.2	Jan 1, 2020	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.3	Oct 4, 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_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.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_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

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	6b7k_validation.pdf.gz	447.4 KB	Display	wwPDB validaton report
Full document	6b7k_full_validation.pdf.gz	459.1 KB	Display
Data in XML	6b7k_validation.xml.gz	41.1 KB	Display
Data in CIF	6b7k_validation.cif.gz	55.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/b7/6b7k ftp://data.pdbj.org/pub/pdb/validation_reports/b7/6b7k	HTTPS FTP

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Related structure data

Related structure data	1uv4S S: Starting model for refinement
Similar structure data	5gtq-d 5hdp-2 4qiy-3 5dfh-2 1va5-2 5xfe-d 5gx1-d 5gx5-d 4qsj-2 2wj6-4 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

1uv4S

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Endo-alpha-(1->5)-L-arabinanase

B: Endo-alpha-(1->5)-L-arabinanase

C: Endo-alpha-(1->5)-L-arabinanase

D: Endo-alpha-(1->5)-L-arabinanase

hetero molecules

134 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Endo-alpha-(1->5)-L-arabinanase

hetero molecules

defined by author&software
Evidence: gel filtration
33.6 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Endo-alpha-(1->5)-L-arabinanase

hetero molecules

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

3

C: Endo-alpha-(1->5)-L-arabinanase

hetero molecules

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

4

D: Endo-alpha-(1->5)-L-arabinanase

hetero molecules

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

Unit cell

Length a, b, c (Å)	64.558, 124.178, 69.231
Angle α, β, γ (deg.)	90.00, 91.16, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Endo-alpha-(1->5)-L-arabinanase Mass: 33499.984 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus licheniformis (strain ATCC 14580 / DSM 13 / JCM 2505 / NBRC 12200 / NCIMB 9375 / NRRL NRS-1264 / Gibson 46) (bacteria) Strain: ATCC 14580 / DSM 13 / JCM 2505 / NBRC 12200 / NCIMB 9375 / NRRL NRS-1264 / Gibson 46 Gene: abnA, BL00353 Production host: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria) References: UniProt: Q65GB9, arabinan endo-1,5-alpha-L-arabinanase
#2: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Ca
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 98 / 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: 2.07 Å³/Da / Density % sol: 40.59 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7.05 Details: 0.1 mM HEPES pH 7.05, 10% PEG 4000 (w/v), 5% 2-propanol (v/v)

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 / Wavelength: 1.5418 Å
Detector	Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Nov 20, 2014 / Details: Mirror
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.5418 Å / Relative weight: 1
Reflection	Resolution: 2.55→46.74 Å / Num. obs: 27463 / % possible obs: 77.3 % / Redundancy: 2.1 % / B_iso Wilson estimate: 37.388 Å² / CC_1/2: 0.979 / R_merge(I) obs: 0.077 / R_pim(I) all: 0.076 / R_rim(I) all: 0.108 / Net I/σ(I): 7.9
Reflection shell	Resolution: 2.55→2.66 Å / Redundancy: 2 % / R_merge(I) obs: 0.324 / Mean I/σ(I) obs: 1.5 / Num. unique obs: 3271 / CC_1/2: 0.756 / R_pim(I) all: 0.322 / R_rim(I) all: 0.457 / % possible all: 75.6

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Processing

Software

Name	Version	Classification
PHENIX	1.12rc1_2807	refinement
XDS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1UV4

1uv4

Resolution: 2.55→44.518 Å / SU ML: 0.39 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 32.26

	R_factor	Num. reflection	% reflection
R_free	0.2735	1286	4.71 %
R_work	0.2295	-	-
obs	0.2317	27311	76.75 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Refinement step

Cycle: LAST / Resolution: 2.55→44.518 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9085	0	8	98	9191

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	9381
X-RAY DIFFRACTION	f_angle_d	0.577	12809
X-RAY DIFFRACTION	f_dihedral_angle_d	8.472	5289
X-RAY DIFFRACTION	f_chiral_restr	0.043	1304
X-RAY DIFFRACTION	f_plane_restr	0.003	1648

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 (%)
2.55-2.6521	0.4108	173	0.3368	3087	X-RAY DIFFRACTION	93
2.6521-2.7728	0.4115	84	0.3154	2037	X-RAY DIFFRACTION	94
2.7728-2.9189	0.3229	171	0.2882	3704	X-RAY DIFFRACTION	98
2.9189-3.1018	0.343	183	0.3039	3694	X-RAY DIFFRACTION	98
3.1018-3.3412	0.2978	197	0.2741	3658	X-RAY DIFFRACTION	98
3.3412-3.6773	0.3392	34	0.2661	809	X-RAY DIFFRACTION	91
3.6773-4.2091	0.3034	68	0.2257	1542	X-RAY DIFFRACTION	90
4.2091-5.3016	0.2109	198	0.1669	3743	X-RAY DIFFRACTION	99
5.3016-44.525	0.2167	178	0.1819	3751	X-RAY DIFFRACTION	98

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	6.3617	-0.7271	-4.5209	2.7535	1.263	6.3166	-0.1807	-0.2566	-0.7698	0.4574	-0.5011	0.5521	0.695	-0.7684	0.5728	0.4298	-0.0537	-0.0036	0.4482	-0.0772	0.4343	-12.0474	-7.8011	77.3613
2	2.7928	0.6983	0.919	2.0227	-0.5374	3.3403	-0.0262	-0.4265	0.395	0.0214	0.2414	0.4128	-0.8172	-0.3994	-0.3106	0.4203	0.0439	0.0578	0.444	-0.1073	0.4302	-4.2227	-1.5071	74.7811
3	5.1173	2.4297	-4.9137	2.8567	-0.8227	8.0811	0.3194	-0.1646	1.014	-0.0939	0.4871	0.4264	-0.6039	-0.1511	-0.7972	0.3236	0.1293	-0.0889	0.3878	-0.0472	0.4324	-8.1623	0.6297	73.1554
4	3.8329	-0.3152	0.0569	3.0316	-0.8054	2.6216	-0.0554	0.447	-0.0121	-0.5671	0.2395	-0.0963	0.3684	0.4397	-0.2209	0.46	-0.0051	0.0914	0.2975	-0.0232	0.4194	4.1428	-6.2721	63.4761
5	4.4041	-0.0498	0.9328	2.8304	-0.5868	2.6646	-0.095	0.283	0.0059	-0.4162	0.0779	-0.4948	0.2344	0.2921	-0.0065	0.275	-0.0056	0.0843	0.2861	-0.0108	0.2924	7.3377	-9.8913	67.5942
6	1.303	0.1008	0.6207	2.2184	0.0391	0.2496	-0.4702	0.1739	-0.6477	-0.739	0.5857	-0.3683	-0.1851	0.2269	-0.1342	0.2966	-0.0068	0.1014	0.3612	-0.0273	0.474	12.2682	-17.553	69.6737
7	3.8587	1.0129	0.7498	3.9434	0.1455	6.1607	0.2469	-0.0547	-0.191	-0.1134	-0.0437	-0.469	0.5337	-0.1947	-0.16	0.3894	-0.0573	0.0158	0.3268	0.0781	0.455	2.179	-23.4742	77.6458
8	3.1838	0.031	-2.8838	5.9886	-3.4971	4.6548	-0.2919	-1.1331	0.0373	-0.2686	0.1422	0.1414	-0.7587	2.1991	0.2148	0.4362	-0.1207	-0.0407	0.6195	-0.1337	0.844	-15.8616	-22.3016	68.8043
9	1.4295	-1.7705	0.5086	3.1963	0.0908	2.7629	0.1673	-0.4759	-0.516	0.0089	-0.0573	0.1111	0.0791	-0.0348	-0.1207	0.2926	-0.0324	0.0093	0.4529	0.0938	0.475	-1.8441	-22.7571	81.0144
10	0.1192	0.4386	0.4182	1.979	1.5355	1.3958	-0.1364	-0.7101	-0.3422	0.1027	-0.0506	0.1673	-0.3304	-0.5526	0.1071	0.2379	-0.0171	0.0308	0.6606	0.0804	0.4751	-9.8593	-16.2658	82.6903
11	2.5399	-0.9055	-1.7933	1.6017	0.5582	2.3676	-0.0421	-0.537	-0.1816	0.0234	0.0455	0.3602	0.3295	0.1548	0.0098	0.341	0.0249	-0.0296	0.3496	-0.0681	0.5051	-21.9056	-18.8413	55.2995
12	1.7709	-1.4557	0.7372	1.8097	-0.7127	2.6886	0.1326	0.1927	0.2693	0.0883	-0.2895	0.0005	-0.4353	0.2344	0.1431	0.3206	-0.0711	-0.023	0.3445	-0.0402	0.3326	-19.4544	-6.9234	48.1853
13	1.3222	1.5365	1.6981	5.2101	-0.1851	3.4872	0.0194	0.4791	-0.0068	-0.3207	0.1563	0.8013	-0.4313	0.1674	-0.2073	0.6096	0.0488	0.0513	0.4149	0.1144	0.3237	-22.4941	-4.8038	40.4003
14	0.7802	2.129	0.3039	8.7863	2.9427	2.9663	-0.6009	-0.0229	-0.148	-0.0747	0.4681	-2.7245	-0.803	1.8842	0.1185	0.4883	-0.0407	-0.0768	0.5878	-0.0071	0.6792	-7.0099	-10.8287	49.5642
15	1.8326	0.0832	0.1342	4.1156	0.138	1.9896	-0.0311	0.3628	0.4489	-0.9645	-0.0593	0.4512	-0.1816	0.0078	0.067	0.5651	0.0779	-0.0397	0.4029	0.0584	0.3189	-26.3889	-11.3303	32.9295
16	3.5357	-0.106	-0.2192	1.13	0.9636	1.7977	0.0579	0.2944	0.0272	-0.3253	0.1266	0.256	-0.1556	-0.0783	-0.2059	0.4631	0.0807	-0.0833	0.4567	0.0476	0.3065	-33.4954	-22.2475	38.057
17	1.5535	1.7137	0.7189	1.7639	-0.2194	5.0267	0.0857	-0.0981	-0.3431	-0.0984	-0.0927	0.2036	-0.4071	-0.4736	-0.0173	0.365	0.0447	0.0006	0.4506	0.0101	0.6088	-38.8925	-22.8793	43.5057
18	1.3663	2.0364	-0.0775	3.7857	1.9079	5.8793	-0.4667	0.6352	0.3146	-0.0298	0.0207	0.5139	0.4784	0.2425	0.2721	0.3022	0.0232	0.0153	0.338	-0.0641	0.5763	-23.5595	-24.4727	45.0183
19	3.232	1.1794	-1.1974	3.4764	1.42	5.7033	-0.2809	0.1144	0.2714	0.4358	0.5743	1.1772	0.9562	0.0457	-0.1526	0.3658	0.0529	0.0781	0.3577	0.1528	0.4361	-33.1946	-16.458	57.2551
20	4.2566	-1.8314	0.4839	5.0717	-0.4384	1.9356	-0.0531	0.423	-0.5953	-0.3548	0.4613	0.7074	0.0446	0.2642	-0.5773	0.2175	-0.0647	0.0013	0.5012	-0.083	0.5083	-30.2409	-33.0906	43.5425
21	4.2217	-2.454	0.3804	3.3175	-0.0471	4.9561	0.1124	-0.1415	0.5203	0.2615	-0.1659	-0.1339	0.0202	-0.088	0.0522	0.2888	-0.0675	0.0279	0.3668	0.038	0.3386	-14.5409	-43.6679	55.6097
22	1.6533	-0.8286	-1.3986	3.2456	-0.9491	1.9659	0.0135	0.1901	-0.5686	-0.1417	-0.0833	0.5064	0.4046	-0.1088	0.0631	0.4296	-0.07	-0.0584	0.4214	-0.0379	0.4256	-15.7228	-55.4863	42.3152
23	1.1881	1.4236	0.9282	2.3328	-0.1193	2.793	0.2844	0.1942	-0.1327	-0.5893	0.01	0.2153	0.0957	0.1373	-0.2355	0.5767	-0.025	0.048	0.2545	-0.0182	0.2364	-16.0202	-53.814	42.9637
24	6.8052	-0.5053	-0.0909	1.9436	1.3903	1.9133	-0.3173	0.1452	0.5123	-0.149	0.3471	-0.3891	0.3116	0.2838	0.0223	0.4516	0.0407	-0.0768	0.3756	0.0416	0.3781	-9.5822	-54.7452	34.4142
25	4.2541	-0.9979	0.0629	3.8141	-0.1896	3.2526	-0.095	0.0958	-0.2551	-0.7811	0.0438	0.0336	0.0106	-0.2045	0.0157	0.5539	0.0185	-0.0154	0.3944	-0.0159	0.2635	-9.7095	-44.5741	31.2825
26	1.7954	2.4742	0.3387	5.8248	-0.3681	3.3131	-0.294	0.6967	-0.0617	-0.9033	0.2647	0.6377	0.0099	-0.1592	0.0091	0.4431	-0.0104	0.0064	0.6112	-0.1072	0.3771	-14.2425	-47.5057	27.1643
27	2.8982	-0.2334	0.2562	3.0413	1.0519	3.4244	-0.121	0.0435	0.0623	-0.483	0.2376	-0.4038	-0.1748	0.4872	-0.1179	0.3871	0.0012	0.1045	0.325	-0.0422	0.4192	0.0933	-38.1055	37.3241
28	1.773	-0.4944	-1.0961	3.0865	-0.1197	3.2313	-0.1199	0.0925	0.0818	-0.0074	0.0857	0.3929	0.1218	0.311	0.0406	0.3489	-0.0172	-0.0203	0.3112	0.0118	0.4236	-1.3784	-37.0041	46.4281
29	0.9025	1.1305	-0.1249	6.0131	-0.4357	5.9342	0.5447	0.4702	0.071	0.8355	0.19	0.0661	0.2634	0.9405	-0.7066	0.2568	0.0346	-0.0916	0.3903	-0.0399	0.5243	-1.4878	-43.8542	57.8774
30	6.4522	-0.8977	2.7004	9.7627	0.6588	3.7164	-0.0073	-0.2814	0.9212	-0.2755	0.1255	-0.833	-0.0332	0.2546	0.0587	0.3653	0.0158	0.0402	0.3773	-0.0445	0.4372	-5.2217	-27.6076	45.0874
31	4.4931	2.2505	0.3101	1.6553	0.5133	3.1706	0.0844	-0.7428	-0.2793	0.6236	-0.4761	-1.1735	-0.3827	0.643	0.302	0.4535	-0.0849	-0.0888	0.4012	0.1189	0.6073	-25.9792	-53.8899	78.9178
32	2.0097	1.2479	-0.4941	2.3671	-2.4254	8.8653	0.0122	-0.1972	-0.2121	-0.2488	-0.3906	-0.7983	0.8639	1.0147	0.4016	0.3601	0.0371	0.0244	0.3932	0.1571	0.6942	-29.4372	-55.9738	70.5667
33	3.2811	0.4941	1.2795	2.6599	-0.1678	4.2136	0.0526	0.0368	0.0043	-0.5403	-0.0312	-0.4432	0.635	-0.2313	-0.0238	0.3698	-0.0117	0.0935	0.2739	0.0041	0.4679	-31.978	-55.5968	64.7738
34	3.4087	1.1617	-1.182	3.8871	-0.6463	2.8576	0.0439	0.0875	-0.4288	-0.2664	0.241	0.4776	0.0481	-0.554	-0.2275	0.2286	0.0317	0.0018	0.3308	0.0194	0.4729	-41.4264	-54.2295	66.7332
35	1.666	1.0419	0.8271	2.7509	0.5636	2.2879	-0.1186	-0.059	0.4445	-0.3736	0.1012	0.4122	-0.2043	-0.3595	0.0113	0.3234	0.0286	-0.0404	0.348	0.0583	0.5115	-43.84	-40.4501	72.5395
36	8.9342	1.1424	0.3657	6.1837	-0.3257	4.21	-1.3959	0.2439	0.6672	-0.4459	0.7909	1.0587	-0.5677	0.0956	0.1056	0.5426	-0.0245	-0.1492	0.3903	0.107	0.5392	-22.7111	-36.7336	69.407
37	7.0303	2.8382	0.5763	2.5314	-0.5414	2.0699	-0.1958	-0.2948	1.3193	0.0522	0.1293	0.7657	0.0402	-0.2542	0.025	0.3795	-0.0075	-0.0742	0.5119	0.0772	0.6309	-43.6081	-34.7065	80.8115
38	1.7206	-1.0273	-0.8367	1.4113	0.313	2.4248	0.4111	-0.7218	0.4199	-0.2985	-0.0526	-0.2295	0.0031	0.069	-0.3111	0.247	-0.0337	-0.0781	0.464	-0.0667	0.6331	-30.4849	-33.4526	78.9147
39	2.1465	-1.4582	1.2715	2.1136	-2.2249	6.7033	0.6686	-0.6765	-0.1505	-0.5035	0.0768	-0.1552	0.7187	0.4265	-0.7092	0.432	0.015	0.0593	0.4374	-0.0139	0.5406	-33.4145	-46.9547	82.5707
40	1.9254	0.7192	-1.2803	1.2079	-1.2471	1.4597	0.0644	-0.5581	0.0562	0.2507	-0.0789	-0.137	0.0222	0.1511	0.0559	0.4666	-0.0727	-0.0623	0.575	-0.0308	0.4211	-26.1029	-42.4981	82.4522

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(chain A and resid 2:16)
2	X-RAY DIFFRACTION	2	(chain A and resid 17:34)
3	X-RAY DIFFRACTION	3	(chain A and resid 35:54)
4	X-RAY DIFFRACTION	4	(chain A and resid 55:82)
5	X-RAY DIFFRACTION	5	(chain A and resid 83:143)
6	X-RAY DIFFRACTION	6	(chain A and resid 144:170)
7	X-RAY DIFFRACTION	7	(chain A and resid 171:202)
8	X-RAY DIFFRACTION	8	(chain A and resid 203:209)
9	X-RAY DIFFRACTION	9	(chain A and resid 210:262)
10	X-RAY DIFFRACTION	10	(chain A and resid 263:291)
11	X-RAY DIFFRACTION	11	(chain B and resid 2:23)
12	X-RAY DIFFRACTION	12	(chain B and resid 24:82)
13	X-RAY DIFFRACTION	13	(chain B and resid 83:104)
14	X-RAY DIFFRACTION	14	(chain B and resid 105:110)
15	X-RAY DIFFRACTION	15	(chain B and resid 111:187)
16	X-RAY DIFFRACTION	16	(chain B and resid 188:225)
17	X-RAY DIFFRACTION	17	(chain B and resid 226:252)
18	X-RAY DIFFRACTION	18	(chain B and resid 253:261)
19	X-RAY DIFFRACTION	19	(chain B and resid 262:278)
20	X-RAY DIFFRACTION	20	(chain B and resid 279:291)
21	X-RAY DIFFRACTION	21	(chain C and resid 2:49)
22	X-RAY DIFFRACTION	22	(chain C and resid 50:88)
23	X-RAY DIFFRACTION	23	(chain C and resid 89:111)
24	X-RAY DIFFRACTION	24	(chain C and resid 112:133)
25	X-RAY DIFFRACTION	25	(chain C and resid 134:158)
26	X-RAY DIFFRACTION	26	(chain C and resid 159:171)
27	X-RAY DIFFRACTION	27	(chain C and resid 172:231)
28	X-RAY DIFFRACTION	28	(chain C and resid 232:261)
29	X-RAY DIFFRACTION	29	(chain C and resid 262:276)
30	X-RAY DIFFRACTION	30	(chain C and resid 277:291)
31	X-RAY DIFFRACTION	31	(chain D and resid 2:22)
32	X-RAY DIFFRACTION	32	(chain D and resid 23:34)
33	X-RAY DIFFRACTION	33	(chain D and resid 35:74)
34	X-RAY DIFFRACTION	34	(chain D and resid 75:123)
35	X-RAY DIFFRACTION	35	(chain D and resid 124:200)
36	X-RAY DIFFRACTION	36	(chain D and resid 201:211)
37	X-RAY DIFFRACTION	37	(chain D and resid 212:224)
38	X-RAY DIFFRACTION	38	(chain D and resid 225:252)
39	X-RAY DIFFRACTION	39	(chain D and resid 253:263)
40	X-RAY DIFFRACTION	40	(chain D and resid 264:291)

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