PDB-6o0s: Crystal structure of the tandem SAM domains from human SARM1

ID or keywords:

Entry

Database: PDB / ID: 6o0s

Title

Crystal structure of the tandem SAM domains from human SARM1

Components

Sterile alpha and TIR motif-containing protein 1

Keywords

SIGNALING PROTEIN / Axon degeneration

Function / homology

Function and homology information

negative regulation of MyD88-independent toll-like receptor signaling pathway / MyD88-independent TLR4 cascade / Toll Like Receptor 3 (TLR3) Cascade / NAD catabolic process /

NAD+ nucleosidase activity / ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase / protein localization to mitochondrion / NAD+ nucleotidase, cyclic ADP-ribose generating / NADP+ nucleosidase activity /

nervous system process ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.7 Å

Authors

Horsefield, S. / Burdett, H. / Zhang, X. / Manik, M.K. / Shi, Y. / Chen, J. / Tiancong, Q. / Gilley, J. / Lai, J. / Gu, W. ...

Funding support

Australia, 6items

Organization	Grant number	Country
National Health and Medical Research Council (NHMRC, Australia)	1107804	Australia
National Health and Medical Research Council (NHMRC, Australia)	1160570	Australia
National Health and Medical Research Council (NHMRC, Australia)	1071659	Australia
National Health and Medical Research Council (NHMRC, Australia)	1108859	Australia
Australian Research Council (ARC)	DP160102244	Australia
Australian Research Council (ARC)	DP190102526	Australia

Citation

Journal: Science / Year: 2019
Title: NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Authors: Horsefield, S. / Burdett, H. / Zhang, X. / Manik, M.K. / Shi, Y. / Chen, J. / Qi, T. / Gilley, J. / Lai, J.S. / Rank, M.X. / Casey, L.W. / Gu, W. / Ericsson, D.J. / Foley, G. / Hughes, R.O. ...

History

Deposition	Feb 17, 2019	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 4, 2019	Provider: repository / Type: Initial release
Revision 1.1	Jan 1, 2020	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.2	Mar 13, 2024	Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2 Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6o0s.cif.gz	470.2 KB	Display	PDBx/mmCIF format
PDB format	pdb6o0s.ent.gz	393.4 KB	Display	PDB format
PDBx/mmJSON format	6o0s.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/o0/6o0s ftp://data.pdbj.org/pub/pdb/validation_reports/o0/6o0s	HTTPS FTP

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Related structure data

Related structure data	6o0qC 6o0rC 6o0tC 6o0uC 6o0vC 6o0wC 6o1bC C: citing same article (ref.)
Similar structure data	6o0t-d 11191 6zg1-d 6qwv-2 6qwv-1 6zg0-d 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	#143 - Nov 2011 Toll-like Receptors similarity (9) #60 - Dec 2004 Ubiquitin similarity (3) #122 - Feb 2010 Enhanceosome similarity (1) #234 - Jun 2019 MDM2 and Cancer similarity (3)

Deposited unit

A: Sterile alpha and TIR motif-containing protein 1

B: Sterile alpha and TIR motif-containing protein 1

C: Sterile alpha and TIR motif-containing protein 1

D: Sterile alpha and TIR motif-containing protein 1

E: Sterile alpha and TIR motif-containing protein 1

F: Sterile alpha and TIR motif-containing protein 1

G: Sterile alpha and TIR motif-containing protein 1

H: Sterile alpha and TIR motif-containing protein 1

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

1

Idetical with deposited unit
defined by author
Evidence: light scattering

Unit cell

Length a, b, c (Å)	94.610, 154.460, 121.882
Angle α, β, γ (deg.)	90.00, 93.82, 90.00
Int Tables number	5
Space group name H-M	I121

#1: Protein	Sterile alpha and TIR motif-containing protein 1 / Sterile alpha and Armadillo repeat protein / Sterile alpha motif domain-containing protein 2 / SAM ...Sterile alpha and Armadillo repeat protein / Sterile alpha motif domain-containing protein 2 / SAM domain-containing protein 2 / Tir-1 homolog Mass: 20296.779 Da / Num. of mol.: 8 / Mutation: L473F Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: SARM1, KIAA0524, SAMD2, SARM / Production host: Escherichia coli (E. coli) / References: UniProt: Q6SZW1

#1: Protein

Sterile alpha and TIR motif-containing protein 1 / Sterile alpha and Armadillo repeat protein / Sterile alpha motif domain-containing protein 2 / SAM ...

Mass: 20296.779 Da / Num. of mol.: 8 / Mutation: L473F
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Homo sapiens (human) / Gene: SARM1, KIAA0524, SAMD2, SARM / Production host:

Escherichia coli (E. coli) / References: UniProt: Q6SZW1

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.74 Å³/Da / Density % sol: 55.05 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 10.7% w/v PEG 4000, 21.4% v/v glycerol, 30 mM MgCl2 and 0.1 M bicine/Trizma base pH 8.0

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9537 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Feb 26, 2013
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9537 Å / Relative weight: 1
Reflection	Resolution: 2.7→95.55 Å / Num. obs: 47692 / % possible obs: 99.6 % / Redundancy: 3.6 % / B_iso Wilson estimate: 44.3 Å² / CC_1/2: 0.997 / R_merge(I) obs: 0.091 / R_pim(I) all: 0.078 / R_rim(I) all: 0.113 / Net I/σ(I): 9
Reflection shell	Resolution: 2.7→2.79 Å / Redundancy: 3.7 % / R_merge(I) obs: 0.778 / Mean I/σ(I) obs: 1.7 / CC_1/2: 0.808 / R_pim(I) all: 0.649 / R_rim(I) all: 0.936 / % possible all: 99.7

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Processing

Software

Name	Version	Classification
PHENIX	(DEV_3357: ???)	refinement
MOSFLM		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.7→60.81 Å / SU ML: 0.35 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 27.74

	R_factor	Num. reflection	% reflection
R_free	0.226	2444	5.13 %
R_work	0.205	-	-
obs	0.206	47615	99.4 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.7→60.81 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9202	0	0	0	9202

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	9374
X-RAY DIFFRACTION	f_angle_d	0.62	12623
X-RAY DIFFRACTION	f_dihedral_angle_d	21.174	3503
X-RAY DIFFRACTION	f_chiral_restr	0.041	1359
X-RAY DIFFRACTION	f_plane_restr	0.003	1636

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 (%)
2.7-2.7551	0.3907	141	0.3432	2640	X-RAY DIFFRACTION	99
2.7551-2.815	0.3097	140	0.3224	2652	X-RAY DIFFRACTION	100
2.815-2.8805	0.3123	136	0.2979	2648	X-RAY DIFFRACTION	100
2.8805-2.9526	0.3157	144	0.2698	2650	X-RAY DIFFRACTION	100
2.9526-3.0324	0.2773	123	0.2723	2673	X-RAY DIFFRACTION	100
3.0324-3.1216	0.3045	157	0.276	2638	X-RAY DIFFRACTION	99
3.1216-3.2224	0.303	144	0.2726	2652	X-RAY DIFFRACTION	100
3.2224-3.3375	0.2544	147	0.2493	2663	X-RAY DIFFRACTION	100
3.3375-3.4711	0.2637	142	0.2307	2673	X-RAY DIFFRACTION	100
3.4711-3.6291	0.221	136	0.2101	2641	X-RAY DIFFRACTION	100
3.6291-3.8204	0.2029	142	0.1899	2706	X-RAY DIFFRACTION	100
3.8204-4.0597	0.1785	124	0.1804	2660	X-RAY DIFFRACTION	100
4.0597-4.3731	0.1876	132	0.1685	2682	X-RAY DIFFRACTION	100
4.3731-4.813	0.218	149	0.1731	2643	X-RAY DIFFRACTION	99
4.813-5.5091	0.2078	178	0.1794	2609	X-RAY DIFFRACTION	99
5.5091-6.9393	0.2508	170	0.2051	2625	X-RAY DIFFRACTION	99
6.9393-60.821	0.1588	139	0.1497	2716	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	6.4538	-1.2128	-2.1019	6.5678	2.7366	9.6402	0.2063	0.9823	-0.8485	0.4247	-0.4205	0.3083	1.053	-1.5703	0.0135	0.3804	-0.1335	-0.0418	0.5962	0.0279	1.1435	-69.5508	-29.4749	-18.7597
2	5.4979	-0.6278	1.6514	3.7543	-0.8848	4.2204	0.5372	-1.2857	-0.4065	-0.4381	-0.4152	1.8058	0.0205	-1.2023	-0.204	0.3393	-0.1041	0.0055	0.6145	0.1966	0.9636	-64.6115	-29.2484	-10.423
3	2.6697	0.3572	0.6043	3.1654	0.2135	2.4469	0.3765	-1.1173	-0.2518	0.608	-0.2136	0.0754	0.0215	-0.4498	-0.1196	0.404	-0.0654	-0.0226	0.6938	0.0964	0.7652	-62.8195	-22.0399	-9.0051
4	5.2166	0.2366	3.3339	3.731	1.1406	7.7816	-0.5116	-0.4239	1.0423	0.4318	0.0846	-0.9317	-1.0748	0.1476	0.2397	0.2951	-0.046	-0.1117	0.6036	-0.0359	0.937	-56.6889	-15.5956	-13.6696
5	5.363	2.4287	3.3751	1.6395	0.391	4.4698	0.1282	0.3403	-0.6606	-0.0602	-0.008	-0.1039	0.3592	0.0879	-0.1575	0.3069	-0.0163	-0.0177	0.5035	-0.057	1.0029	-59.6141	-27.6722	-25.8772
6	5.8168	0.2384	-3.1787	7.1745	2.8397	9.7816	-0.1305	-0.1064	-0.0548	-0.0286	0.1365	-0.3428	0.2448	0.6117	-0.0163	0.273	0.0126	-0.011	0.4389	0.0375	0.6857	-60.8402	-24.3347	-30.3528
7	1.9163	2.1958	1.413	3.786	2.5685	4.7926	0.4429	0.8782	-0.3278	-0.1039	-0.0795	-0.8633	-0.1291	-0.852	-0.3863	0.3705	-0.0798	-0.0736	0.8448	0.0452	0.7243	-66.9186	-19.0365	-41.076
8	2.8503	2.0876	1.6316	2.6657	-0.1279	2.5233	-0.1203	1.1393	-0.1517	0.2278	0.6388	-1.145	-1.3381	0.6899	-0.7086	0.531	0.0219	-0.0577	0.6022	-0.0902	0.9973	-57.7231	-12.0286	-35.4303
9	5.705	0.4535	1.3431	6.0231	0.6595	6.8656	-0.2549	0.908	0.2888	-0.5135	-0.0355	-0.4539	-0.1743	-0.3702	-0.0352	0.3619	0.0127	0.1208	0.7069	0.0624	0.8348	-55.2448	-19.7021	-37.7988
10	5.1289	0.1723	1.7501	3.4404	0.5724	8.5142	-0.0437	-0.7721	0.755	0.4369	-0.1481	1.1444	0.1971	-1.1009	0.4277	0.4324	-0.099	0.1512	0.5488	0.0059	1.1449	-81.2601	-2.3083	-12.3631
11	9.9686	-3.4526	4.4211	4.0995	-4.4034	9.4687	-0.2816	0.3602	1.0592	0.695	0.1575	-0.4344	-0.6753	0.5687	0.0384	0.4333	0.0269	-0.0149	0.409	-0.1169	0.8875	-67.5925	-1.0792	-12.5585
12	7.0983	-3.8003	5.7176	4.6449	-1.5264	7.5087	0.1823	-0.1043	0.6963	0.385	-0.0347	1.1825	0.3983	-0.8283	-0.1036	0.2957	-0.0686	0.016	0.4087	0.0145	0.8699	-73.5102	-10.4953	-18.3242
13	8.0439	1.5772	-3.0677	4.3173	-3.4457	3.2802	0.0362	0.053	-0.3143	-1.3906	-0.2507	1.6134	0.4771	-0.8336	0.0824	0.6096	-0.008	-0.3875	0.6964	-0.1281	1.4034	-84.2041	-4.3931	-33.7085
14	5.5471	-1.8698	-0.4438	5.5178	2.3544	5.5753	-0.3012	-0.1367	0.37	-0.648	-0.1207	1.5142	0.2079	-0.2675	0.4598	0.3193	-0.058	-0.0648	0.5118	-0.0492	1.0777	-77.9019	-4.0564	-30.7778
15	5.0657	2.6614	0.6965	5.9749	7.4333	1.9931	0.9527	-0.0958	-0.2217	-2.346	-0.0881	1.2087	-0.9419	-1.0959	-0.377	0.6661	0.0929	-0.5166	0.8383	0.2218	1.0385	-78.0763	4.2897	-41.6454
16	9.3241	-1.597	-0.5989	2.4776	-2.2298	2.5508	0.3964	0.357	1.7054	-0.2926	-0.2255	-0.361	-0.9275	2.2054	-0.1646	0.6536	-0.0688	-0.0637	0.6576	-0.0619	0.78	-66.6419	2.3163	-35.616
17	7.821	-1.6115	1.6653	6.5047	-0.3711	7.6478	0.008	0.3268	0.2717	-0.5589	-0.0695	0.0746	-0.1073	0.0908	0.4107	0.4976	-0.0181	-0.072	0.5879	-0.0407	0.9085	-70.1532	-4.6183	-38.1474
18	5.2669	4.0846	-0.4609	6.7429	-1.3177	7.9493	0.805	1.0766	-0.6176	-0.3711	-0.4017	0.2828	-1.3431	-0.3691	-0.2423	0.3854	0.151	-0.1448	0.4675	-0.0918	1.8446	-81.4113	30.951	-20.388
19	3.6905	2.1743	2.3801	2.9296	-0.5394	3.9548	-0.0379	-0.8004	0.432	0.9472	0.5335	1.793	-0.3772	-1.5715	-0.375	0.3501	-0.1156	0.1981	0.9026	-0.1515	1.7859	-81.7599	25.7313	-11.6258
20	5.0357	1.0764	1.1941	4.2606	-0.6112	6.7774	0.2806	-0.8317	0.1837	0.6272	-0.3814	0.8876	-0.088	-0.4094	0.1083	0.3785	-0.1346	0.0796	0.6445	-0.1031	1.131	-74.1765	24.5045	-10.8393
21	3.7065	0.8937	-0.8973	7.2129	-5.7448	9.8758	0.7379	-0.5227	0.3439	0.0408	-0.9618	-0.2316	0.7382	1.216	0.1745	0.4281	-0.111	-0.0711	0.6012	-0.0217	1.0875	-66.9524	17.3388	-12.4971
22	1.8551	0.5284	0.5094	2.5533	-2.0679	4.0472	-0.2491	0.038	0.7418	-0.3993	0.0205	1.3524	0.0817	-0.8306	0.1698	0.3345	-0.0248	-0.3021	0.5673	0.043	1.6689	-78.9164	20.8263	-27.0557
23	4.8056	-1.8089	1.9472	3.3946	3.7628	8.239	-0.3916	-0.4006	0.1598	-0.0502	-0.004	1.8417	0.2509	-0.7156	0.4092	0.4693	-0.0029	-0.1714	0.654	0.0844	1.474	-76.286	21.8796	-31.0389
24	6.2147	-1.6641	-2.0907	5.0749	2.8112	3.9033	-0.1859	0.524	-0.22	-1.8575	0.5613	0.1664	-1.1258	0.8091	0.2447	0.7902	-0.2057	-0.3575	0.8581	0.1984	1.292	-69.2395	28.059	-41.2252
25	8.6203	-3.7093	1.4935	2.0323	-4.2897	2.2876	0.6854	-0.2962	-0.409	-1.3402	0.6123	-0.8249	1.2739	-0.194	-1.1079	0.5349	-0.015	-0.1854	0.6609	0.1042	1.1171	-62.7728	19.2625	-35.7691
26	4.733	6.772	2.2221	9.6303	3.4625	3.2221	0.1178	-0.2229	0.8296	1.1081	0.3015	-0.1427	-0.5356	-0.08	-0.4421	0.7145	0.096	-0.1356	0.662	0.1322	1.2052	-67.5564	17.5856	-30.3693
27	7.1416	-1.4167	-0.9443	6.1166	-6.6178	9.705	0.137	0.6173	-0.0514	-1.1512	-0.3919	0.221	-0.2499	0.3732	0.1589	0.9559	-0.0883	-0.3494	0.5281	0.0212	1.1036	-71.5333	15.9538	-41.6051
28	5.9486	1.8274	-4.328	8.1334	-3.8191	8.9283	0.6159	-0.4164	1.6529	0.6466	0.0033	0.3936	-0.8189	-0.0406	-0.4349	0.4118	-0.0575	0.058	0.6501	-0.202	1.3191	-56.2848	43.9909	-10.7012
29	3.6712	2.5448	-2.16	2.8809	-1.6581	2.7573	0.0482	-0.3929	0.3959	0.1731	0.0349	0.3207	-0.2181	-0.1022	-0.1061	0.3198	-0.0179	0.0372	0.5178	-0.0891	1.0659	-56.5713	35.1597	-15.9293
30	5.3436	0.2275	-0.5645	2.4456	-0.0023	3.865	0.2687	0.687	0.7474	-0.2345	0.1999	0.3327	-0.1432	-0.0299	-0.4101	0.3421	0.0147	-0.0112	0.6379	0.2042	1.2641	-53.2672	40.3521	-34.5109
31	6.4793	0.2797	0.7129	6.7212	-3.3393	2.2957	0.1013	0.5089	-0.2545	-0.5229	0.0758	0.2481	0.3889	0.2969	-0.4338	0.378	-0.0386	-0.112	0.7068	0.0743	1.2058	-56.2828	32.2851	-37.9155
32	5.3444	-1.9666	-2.9771	4.7466	0.4641	6.6167	0.0568	-0.3437	0.5473	0.365	0.0984	-0.5498	-0.3017	0.5974	-0.1153	0.2689	-0.0739	-0.0289	0.4623	-0.064	0.7899	-26.0771	38.5809	-11.8703
33	6.4412	-0.6942	-0.9869	0.4715	-0.7105	4.2246	-0.0002	-0.0656	-0.036	0.3914	-0.214	0.0813	-0.1868	0.1946	0.1805	0.3077	-0.0782	0.0444	0.4963	-0.066	0.9949	-36.2541	34.9994	-15.7866
34	3.8752	1.134	2.4223	3.4872	2.168	6.6334	-0.0535	0.7576	0.4543	-0.2891	0.2883	0.0953	-0.5458	-0.1742	-0.1651	0.3127	0.0089	0.043	0.5266	0.0578	0.9327	-26.2023	38.2015	-34.1387
35	9.2733	-6.0148	-2.261	3.898	1.7325	9.8905	0.4862	0.8323	0.1283	0.2127	0.1857	-0.3517	1.0002	0.1916	-0.26	0.3741	-0.0027	-0.0839	0.5321	-0.0083	0.999	-33.477	26.9162	-33.0847
36	0.3012	-0.4849	1.0543	7.2468	-2.9055	6.5247	-0.3242	1.32	0.3552	-0.3638	-0.0654	-0.6336	-0.0396	0.1238	0.2644	0.4475	-0.007	-0.1227	0.9403	-0.0184	1.1428	-35.5032	34.1052	-41.1163
37	4.2223	-1.8011	-0.0264	4.1342	1.8475	7.4579	-0.0097	-0.6736	-0.3863	0.3123	0.0911	-0.8057	-0.2095	0.8246	0.0011	0.3396	-0.058	-0.1367	0.6093	-0.0225	0.9945	-9.0527	15.8007	-11.5646
38	6.4701	-1.5579	-6.0325	4.9013	1.7216	9.0094	-0.1455	0.6743	-0.5599	0.5612	0.239	0.5393	0.4589	-1.1529	0.0063	0.4365	-0.0425	-0.001	0.4794	0.0141	0.9208	-21.6123	13.9241	-13.5296
39	9.6911	-6.108	-6.9094	4.234	3.0895	7.615	0.0023	-0.5177	-0.0865	-0.0592	-0.2223	-0.1853	0.0789	0.5315	-0.0059	0.3083	-0.1039	0.0196	0.4616	-0.0344	0.875	-17.1368	23.7718	-18.0549
40	6.485	0.2302	2.3621	4.5635	0.9039	7.3357	-0.1309	0.3102	-0.0349	-0.9311	0.1549	-1.1424	-0.3293	0.5555	-0.0199	0.4185	-0.0373	0.1533	0.4573	0.0008	0.8694	-12.0807	14.756	-34.3849
41	6.7841	-0.0216	-1.0746	4.1299	-0.5661	1.9289	-0.2763	0.3471	-0.4246	-0.1449	-0.3916	-0.028	0.1986	0.6264	0.5775	0.509	0.1017	-0.0231	0.5056	0.0044	1.0069	-20.4151	17.6864	-37.9375
42	3.5867	-2.8658	-1.0921	3.4824	-2.262	9.0284	0.6431	-0.4918	-1.0852	-0.8248	0.137	-0.6865	0.6131	1.1611	-0.136	0.5122	0.0705	0.0194	0.6438	0.0066	1.6083	-9.0944	-17.7545	-19.8272
43	9.3334	3.1442	0.7539	8.5783	4.0964	7.2524	0.0956	-0.8437	-0.9705	1.4102	0.5924	-2.0457	0.5534	1.4223	-0.4089	0.466	-0.0895	-0.1216	0.7844	0.1171	1.1061	-11.9222	-10.3246	-8.5698
44	2.5129	-1.0808	0.0424	7.3454	2.4886	5.5936	0.6434	-0.2754	-0.0394	-0.0526	-0.2263	-0.2864	-0.1454	-0.3662	-0.2364	0.3014	-0.0956	0.0382	0.4986	0.0119	0.9427	-21.6386	-8.5958	-13.8964
45	2.4725	0.7814	-1.1387	4.3188	4.0263	5.5822	-0.3316	0.0919	-0.6074	-0.2849	0.2949	-0.8856	0.1548	0.8511	-0.0008	0.446	0.0261	0.2141	0.555	-0.0505	1.2741	-11.6131	-7.5967	-26.6715
46	2.9581	3.2984	-3.2243	3.7219	-3.8875	4.5082	-0.2806	-0.2518	-0.4815	0.102	-0.1357	-2.3941	-0.2146	1.2244	0.2394	0.4934	-0.0894	0.1742	0.6251	-0.0924	1.3026	-14.2625	-8.6615	-30.7651
47	2.0206	-2.1137	-1.0648	9.7887	1.2203	2.924	0.5001	-0.1204	0.9181	-1.048	-0.4083	0.3546	0.3505	-0.3632	0.134	0.7525	-0.1645	0.2386	0.8813	-0.1929	1.0691	-20.9524	-15.1915	-40.7819
48	4.7903	-1.2905	1.2977	5.3119	4.6179	5.502	0.9195	0.3437	0.6392	-1.3228	-0.3766	-0.083	-1.1233	-1.7735	-0.6151	0.5757	0.03	0.0766	0.6778	0.0544	0.8248	-27.5893	-6.1904	-35.3923
49	5.2312	5.1661	-1.169	6.9945	-3.8122	3.7836	-0.3093	-1.2513	-1.2917	-1.0723	0.8376	0.2417	0.405	-0.1691	-0.8099	0.8049	0.0612	0.0842	0.5824	-0.1457	0.742	-23.0223	-4.529	-30.1821
50	4.5641	-3.9979	-1.9583	8.6253	4.2915	2.1337	-0.5045	0.3558	-0.1973	-0.4149	-0.2633	1.3518	0.5384	-0.4053	0.5756	0.7261	-0.0966	0.2212	0.4838	0.0078	0.8771	-18.99	-2.95	-41.2967
51	4.8547	2.0679	1.2281	8.1232	1.1429	3.2928	0.4277	-0.6212	-1.2014	0.5205	0.015	-0.1017	0.9075	-0.0391	-0.4392	0.4217	-0.0551	-0.129	0.5825	0.14	1.1171	-34.4362	-30.8233	-10.6129
52	4.9586	3.2654	0.5801	4.708	1.9586	4.013	0.0595	-0.3694	-0.1731	0.1447	-0.057	0.0251	0.1833	0.0348	0.0534	0.314	-0.0439	-0.049	0.4869	-0.0124	0.7612	-34.304	-21.5129	-15.5525
53	7.5424	-1.0502	-0.7425	4.27	-0.6879	5.7929	0.2006	0.5304	-0.7972	-0.2625	0.1357	-0.1869	0.3341	-0.1441	-0.2122	0.3048	0.0122	-0.0542	0.5582	-0.2275	1.0742	-37.0014	-27.4547	-33.9793
54	5.3189	-0.8648	0.2624	8.5196	1.3338	5.5483	0.4537	0.5739	0.1372	-0.7951	-0.0763	-0.1484	-0.3104	0.3134	-0.6283	0.3605	0.0003	0.0258	0.6716	-0.1016	0.9051	-34.1673	-19.2208	-37.7731

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 406 through 413 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 414 through 423 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 424 through 443 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 444 through 459 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 460 through 495 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 496 through 508 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 509 through 517 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 518 through 525 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 526 through 545 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 406 through 445 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 446 through 459 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 460 through 475 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 476 through 495 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 496 through 508 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 509 through 517 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 518 through 525 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 526 through 545 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 406 through 413 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 414 through 423 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 424 through 445 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 446 through 459 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 460 through 495 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 496 through 507 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 508 through 517 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 518 through 525 )
26	X-RAY DIFFRACTION	26	chain 'C' and (resid 526 through 531 )
27	X-RAY DIFFRACTION	27	chain 'C' and (resid 532 through 545 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 407 through 435 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 436 through 476 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 477 through 525 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 526 through 545 )
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 406 through 445 )
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 446 through 476 )
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 477 through 517 )
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 518 through 531 )
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 532 through 545 )
37	X-RAY DIFFRACTION	37	chain 'F' and (resid 406 through 443 )
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 444 through 459 )
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 460 through 475 )
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 476 through 525 )
41	X-RAY DIFFRACTION	41	chain 'F' and (resid 526 through 545 )
42	X-RAY DIFFRACTION	42	chain 'G' and (resid 406 through 413 )
43	X-RAY DIFFRACTION	43	chain 'G' and (resid 414 through 435 )
44	X-RAY DIFFRACTION	44	chain 'G' and (resid 436 through 459 )
45	X-RAY DIFFRACTION	45	chain 'G' and (resid 460 through 495 )
46	X-RAY DIFFRACTION	46	chain 'G' and (resid 496 through 507 )
47	X-RAY DIFFRACTION	47	chain 'G' and (resid 508 through 517 )
48	X-RAY DIFFRACTION	48	chain 'G' and (resid 518 through 525 )
49	X-RAY DIFFRACTION	49	chain 'G' and (resid 526 through 531 )
50	X-RAY DIFFRACTION	50	chain 'G' and (resid 532 through 545 )
51	X-RAY DIFFRACTION	51	chain 'H' and (resid 406 through 435 )
52	X-RAY DIFFRACTION	52	chain 'H' and (resid 436 through 475 )
53	X-RAY DIFFRACTION	53	chain 'H' and (resid 476 through 525 )
54	X-RAY DIFFRACTION	54	chain 'H' and (resid 526 through 545 )

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