PDB-6u08: Double-stranded DNA-specific cytidine deaminase type VI secretion...

ID or keywords:

Entry

Database: PDB / ID: 6u08

Title

Double-stranded DNA-specific cytidine deaminase type VI secretion system effector and cognate immunity complex from Burkholderia cenocepacia

Components

DddI
Double-stranded DNA-specific cytidine deaminase

Keywords

TOXIN /

type VI secretion system /

immunity /

deaminase

Function / homology

Function and homology information

membrane => GO:0016020
Similarity search - Function

Biological species

Burkholderia cenocepacia (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.491 Å

Authors

Bosch, D.E. / de Moraes, M.M.H. / Mougous, J.D.

Funding support

United States, 1items

Citation

Journal: Nature / Year: 2020
Title: A bacterial cytidine deaminase toxin enables CRISPR-free mitochondrial base editing.
Authors: Mok, B.Y. / de Moraes, M.H. / Zeng, J. / Bosch, D.E. / Kotrys, A.V. / Raguram, A. / Hsu, F. / Radey, M.C. / Peterson, S.B. / Mootha, V.K. / Mougous, J.D. / Liu, D.R.

History

Deposition	Aug 13, 2019	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 15, 2020	Provider: repository / Type: Initial release
Revision 1.1	Jul 22, 2020	Group: Database references / Category: citation / citation_author Item: _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name
Revision 1.2	Aug 5, 2020	Group: Database references / Derived calculations / Category: citation / struct_conn / struct_conn_type Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _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_conn_type.id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6u08.cif.gz	407.8 KB	Display	PDBx/mmCIF format
PDB format	pdb6u08.ent.gz	351.3 KB	Display	PDB format
PDBx/mmJSON format	6u08.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/u0/6u08 ftp://data.pdbj.org/pub/pdb/validation_reports/u0/6u08	HTTPS FTP

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Related structure data

Similar structure data	4x9w-d 4rcp-d 3q1i-d 1ft6-d 3p37-2 6ljc-d 5dms-2 5ok1-d 1q4k-1 2ph7-2 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

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Double-stranded DNA-specific cytidine deaminase

B: DddI

C: Double-stranded DNA-specific cytidine deaminase

D: DddI

E: Double-stranded DNA-specific cytidine deaminase

F: DddI

G: Double-stranded DNA-specific cytidine deaminase

H: DddI

hetero molecules

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

1

A: Double-stranded DNA-specific cytidine deaminase

B: DddI

hetero molecules

defined by author&software
Evidence: gel filtration
33 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Double-stranded DNA-specific cytidine deaminase

D: DddI

hetero molecules

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

3

E: Double-stranded DNA-specific cytidine deaminase

F: DddI

hetero molecules

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

4

G: Double-stranded DNA-specific cytidine deaminase

H: DddI

hetero molecules

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

Unit cell

Length a, b, c (Å)	126.760, 144.953, 64.186
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	18
Space group name H-M	P2₁2₁2

#1: Protein	Double-stranded DNA-specific cytidine deaminase Mass: 18890.197 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Burkholderia cenocepacia (bacteria) / Gene: A8E72_33435 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A1V2VU04, UniProt: A0A1V6L4E7*PLUS
#2: Protein	DddI Mass: 14068.064 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Burkholderia cenocepacia (bacteria) / Gene: A8E72_33440, UE95_03835 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A1V6L5G6
#3: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn
#4: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 89 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.24 Å³/Da / Density % sol: 45.08 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion, hanging drop Details: 25% PEG 3350, 0.1 M Bis-Tris:Hcl pH 6.5, 200 mM MgCl2

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: ALS / Beamline: 8.2.2 / Wavelength: 0.979 Å
Detector	Type: DECTRIS PILATUS3 R CdTe 300K / Detector: PIXEL / Date: Apr 19, 2018
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 2.491→38.603 Å / Num. obs: 78988 / % possible obs: 98.9 % / Redundancy: 13 % / R_merge(I) obs: 0.12 / Net I/σ(I): 32.7
Reflection shell	Resolution: 2.491→2.53 Å / Redundancy: 12.6 % / Num. unique obs: 1339 / CC_1/2: 0.865 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	1.14_3260	refinement
PDB_EXTRACT	3.25	data extraction
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.491→38.603 Å / SU ML: 0.33 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 24.48 / Stereochemistry target values: MLHL

	R_factor	Num. reflection	% reflection
R_free	0.2275	3778	4.78 %
R_work	0.1718	75210	-
obs	0.1745	78988	98.92 %

Solvent computation

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

Displacement parameters

B_iso max: 189.95 Å² / B_iso mean: 59.1849 Å² / B_iso min: 25.68 Å²

Refinement step

Cycle: final / Resolution: 2.491→38.603 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7796	0	4	89	7889
B_iso mean	-	-	172.24	50.7	-
Num. residues	-	-	-	-	1017

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	% reflection obs (%)
2.4914-2.5229	0.3387	135	0.2661	2654	96
2.5229-2.5561	0.3587	137	0.2684	2761	97
2.5561-2.5911	0.3417	145	0.2558	2798	99
2.5911-2.6281	0.3092	141	0.2432	2793	100
2.6281-2.6674	0.2881	139	0.2411	2741	97
2.6674-2.709	0.2643	136	0.2358	2759	99
2.709-2.7534	0.3297	143	0.2343	2845	100
2.7534-2.8009	0.3337	135	0.2316	2713	97
2.8009-2.8518	0.3444	143	0.2244	2798	100
2.8518-2.9067	0.3113	145	0.2123	2788	98
2.9067-2.966	0.3295	134	0.2241	2791	99
2.966-3.0304	0.2616	141	0.2064	2808	100
3.0304-3.1009	0.2532	139	0.2096	2746	98
3.1009-3.1784	0.2267	140	0.1999	2821	100
3.1784-3.2643	0.2586	141	0.1849	2774	98
3.2643-3.3603	0.2497	148	0.1892	2808	99
3.3603-3.4687	0.2386	139	0.1847	2764	99
3.4687-3.5926	0.2255	140	0.1617	2795	99
3.5926-3.7363	0.2163	141	0.1609	2820	100
3.7363-3.9062	0.1919	141	0.1523	2774	99
3.9062-4.1119	0.2172	139	0.1424	2809	99
4.1119-4.3692	0.1586	138	0.1264	2799	99
4.3692-4.706	0.1498	140	0.1154	2804	100
4.706-5.1786	0.1805	135	0.1217	2806	100
5.1786-5.9257	0.1985	143	0.1496	2817	100
5.9257-7.4569	0.2092	138	0.1731	2819	100
7.4569-38.603	0.2227	142	0.1729	2805	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	3.7634	0.2309	-2.0058	8.1686	1.8161	3.2828	-0.3072	0.486	0.0632	-0.5199	0.2921	1.0299	0.2151	-0.3102	0.0554	0.4409	-0.0501	-0.088	0.3849	0.0964	0.3481	21.6287	61.704	80.1405
2	1.4105	1.7977	0.5012	9.0142	3.4709	3.9385	-0.1737	0.4578	-0.0289	0.6859	0.3395	-0.3481	0.2331	0.4763	-0.0883	0.321	-0.0302	0.0435	0.3219	0.0403	0.2949	29.3974	55.9425	84.5255
3	5.5964	1.0236	-2.9384	6.6862	-1.0922	2.1148	-0.0175	0.0434	-0.1385	-0.4742	-0.0225	-0.0407	0.2366	0.3984	0.0353	0.5212	-0.0114	-0.0821	0.4906	0.1376	0.4806	38.935	66.334	81.6028
4	2.8835	-0.4712	0.0558	0.3494	0.2755	5.6754	0.2121	0.3255	-0.1234	-0.2389	-0.1088	0.2903	0.2672	-0.336	-0.2224	0.3723	-0.0584	-0.0038	0.311	0.0903	0.4151	27.8001	64.782	76.978
5	6.3969	2.4052	2.8924	5.0387	-2.0795	4.3473	0.3953	0.0285	-0.1908	-0.0277	-0.1081	-0.6185	0.5146	0.5492	-0.2055	0.6477	0.0995	0.0588	0.5375	0.0079	0.4816	36.5118	63.7194	72.3449
6	5.2196	-2.3499	-1.5317	3.2539	-2.3886	7.0884	-0.3595	0.2767	0.3716	-1.2794	0.8265	0.8109	0.2645	-1.3731	-0.2591	0.3609	0.004	-0.1397	0.5059	0.1082	0.5387	22.5495	74.6434	70.9596
7	3.4784	-0.4683	-2.9499	6.6302	0.4043	3.1998	0.1356	0.6936	0.0969	-0.76	-0.1957	-0.4223	0.7562	0.2808	0.0546	0.6054	0.0311	0.0794	0.4315	0.0346	0.2926	37.4779	65.3867	71.0319
8	5.9575	1.6602	0.898	3.0297	0.9848	3.6225	0.3768	0.9134	0.0782	-1.2134	-0.3835	-0.214	-0.4904	-0.3948	-0.2195	0.9765	0.1481	0.0149	0.4808	0.1333	0.709	29.9693	89.1916	66.1014
9	6.5466	2.4745	0.024	5.4305	-3.8393	3.2871	0.4406	-0.3761	1.2084	0.822	0.4993	0.4743	-1.5788	-0.5562	-0.9178	0.8293	0.0482	0.2037	0.3506	0.0981	0.572	35.9914	96.2991	68.4276
10	9.5917	5.0697	-7.1794	9.3659	-6.5576	6.4799	0.418	0.1264	-0.4329	0.3963	0.1101	-0.2194	-0.8951	-0.55	-0.4934	0.985	0.0292	0.289	0.4162	-0.065	0.5027	32.1273	91.8689	80.9255
11	3.1427	0.9014	0.8649	4.1843	5.0146	5.9616	0.1803	-0.1197	0.2348	0.774	-0.0725	0.5597	-0.5569	-0.3138	-0.483	0.6382	0.0249	0.0566	0.2488	0.0786	0.4187	34.4487	85.8331	71.9336
12	6.6019	3.8722	-3.2857	1.9979	-4.0771	2.2271	-0.3694	0.6572	-0.5457	-0.9763	0.658	1.251	-0.3192	-0.6462	-0.4865	0.8955	-0.0187	-0.0399	0.43	0.0888	0.4216	33.8644	79.0388	60.1863
13	8.1328	0.7205	-0.062	6.2116	-1.8247	8.3699	0.286	0.026	0.0789	0.1674	-0.4091	-0.1123	-0.5989	0.148	0.1593	0.5499	-0.0388	0.0625	0.3811	0.0498	0.3314	40.8257	83.1766	73.7317
14	8.1432	4.224	2.0521	2.3587	0.6191	6.9421	0.1357	0.5936	-0.4105	-0.2707	-0.3738	-0.8063	-0.1824	1.289	0.3201	0.5219	-0.0236	0.0761	0.5077	0.0834	0.6285	44.9605	74.6742	67.4623
15	2.4857	-2.6558	-2.3953	5.1863	-0.2465	5.1136	0.2833	-1.2464	-0.4695	0.9272	-0.0354	-0.1707	-0.1383	0.531	-0.1729	0.6328	-0.1119	-0.0629	0.4264	0.0468	0.4116	38.8463	82.3251	83.0602
16	2.2754	-0.3706	1.2738	2.278	-0.9996	4.5515	-0.0987	-0.8111	-0.3118	0.5914	-0.514	-0.7179	-0.4188	1.3314	0.5311	0.569	-0.2372	-0.0156	0.598	0.1172	0.4753	44.4806	81.2844	82.2442
17	3.831	-0.5303	1.5667	3.9532	-0.524	5.9087	0.3928	-0.5822	0.3696	0.1291	-0.6495	-0.6869	0.6803	0.3156	0.081	0.8226	-0.0786	0.1806	0.5113	0.1654	0.7114	44.1222	91.0152	67.2767
18	5.4479	-1.0807	2.1282	4.0751	-5.6843	8.0651	-0.0815	0.3358	-0.2612	-1.2624	-0.3637	-1.3891	-0.5317	0.6188	0.2495	0.6714	0.0202	0.1949	0.4412	0.0302	0.6775	48.8783	81.3442	66.2722
19	5.9766	0.0275	0.8778	3.4386	-0.7766	3.8987	0.3642	-0.4557	0.825	0.5233	-0.228	-0.0722	-0.5036	0.0832	-0.0814	0.4755	-0.0875	0.1098	0.3722	-0.0025	0.3766	12.0943	52.1811	48.3689
20	3.9876	4.3291	-1.8366	3.6927	-0.793	2.6814	0.171	-0.3466	-0.3892	0.2197	-0.3419	-0.0376	0.204	0.0935	0.1287	0.4015	-0.0002	0.075	0.3862	-0.0294	0.3993	12.061	38.9002	45.8831
21	3.7912	-1.5874	0.0404	7.7475	0.8463	4.5784	0.1288	-0.4061	0.3546	0.0872	-0.0172	0.0196	-0.3633	0.1019	-0.1605	0.3996	-0.0495	0.0713	0.28	-0.0116	0.2435	9.9213	45.1898	51.1232
22	4.6006	-1.3439	-3.3095	6.6973	2.4001	3.1531	-0.2006	-0.0524	-0.6374	-0.2243	0.0362	0.0688	-0.0347	0.3353	0.1423	0.4077	-0.0063	-0.03	0.488	0.0637	0.4007	10.4858	37.3096	56.3171
23	6.1546	-4.1294	-2.1956	6.5774	-2.9546	7.7494	0.6754	-0.4667	0.6934	-0.1148	0.0704	0.1549	-0.4456	0.1519	-0.7491	0.674	0.0713	0.3123	0.3422	0.019	0.5255	-0.8121	50.8778	57.4154
24	4.3306	0.1386	-0.0339	5.3967	-0.8652	3.0118	-0.422	-0.4803	-0.4532	0.7898	0.2341	0.1319	0.2728	0.5973	0.1981	0.5145	-0.0182	0.0917	0.6305	0.0698	0.3711	8.7063	36.3263	57.6012
25	0.9152	0.2005	0.2492	3.4009	0.7704	2.5183	0.3142	-0.1291	0.2363	0.4504	0.0343	0.9247	-0.1729	-1.0816	-0.2243	0.3913	0.055	0.1132	1.0485	0.0383	0.7877	-17.7639	40.6834	58.5566
26	7.2643	0.4156	0.2682	4.4522	-2.1666	6.8989	0.2538	-0.0424	0.2506	0.0364	0.0628	0.5286	-0.0995	-0.8373	-0.2253	0.2533	-0.083	0.0902	0.5384	-0.0074	0.4429	-9.5729	36.9497	58.4614
27	3.2718	-1.9092	0.4179	1.0981	0.8286	6.9082	0.0846	-0.1704	0.0113	-0.0133	-0.1183	-0.1805	0.4794	-0.1413	0.0994	0.4121	-0.1625	0.0556	0.5603	0.0869	0.3998	-4.3411	27.6645	56.2874
28	3.2129	-1.9405	2.8381	2.0792	-0.4621	5.9136	-0.2954	0.6887	0.0216	0.0415	0.669	0.4128	0.018	-0.7575	-0.1491	0.4053	-0.0742	0.0398	0.7149	0.0638	0.541	-8.2969	39.0545	44.5138
29	2.6525	2.3643	-2.7991	6.8642	0.6131	5.5547	-0.6844	0.8753	-0.771	-0.7654	0.1308	-0.3577	1.3562	-1.5057	0.5883	0.6074	-0.1944	0.0175	0.5687	-0.1046	0.4475	-6.6598	28.6198	46.2472
30	2.6247	0.1864	2.0055	2.2933	1.8315	2.7874	0.0226	0.3959	-0.1877	-0.3056	0.1299	0.2664	0.1262	-0.8334	-0.3958	0.5391	-0.215	0.1648	0.8376	0.0598	0.7363	-16.5663	28.8364	61.0149
31	7.3808	-4.7433	-5.2834	3.761	3.923	4.0933	-0.6503	-0.7152	-1.4036	0.2583	0.3225	0.9115	0.9208	0.0171	0.4302	0.7007	-0.0951	0.1179	0.5561	0.1285	0.5918	-6.8752	24.3319	62.3426
32	3.1967	0.8896	0.6816	6.9323	-0.3661	2.6984	0.4622	-0.1095	0.4668	0.42	0.0686	0.9654	-1.131	-0.584	-0.3984	0.609	0.0734	0.2125	0.4191	0.0989	0.5372	19.9008	70.1711	35.0208
33	6.658	-5.5769	0.5445	8.4007	3.2284	4.3649	0.0102	-0.0885	0.9637	0.1408	0.2795	-0.5409	-1.2076	0.1234	-0.3243	0.6246	0.0177	0.1329	0.3311	0.0594	0.4679	25.1204	78.3375	30.9392
34	8.8063	-2.657	1.5642	6.8149	-1.508	5.808	0.0619	-0.439	0.4541	0.5652	-0.109	-0.2866	-0.8343	0.7514	-0.0232	0.5448	-0.2237	0.0362	0.5461	0.0392	0.4944	37.9055	71.2249	34.3358
35	3.9484	0.9636	0.7601	3.9004	-1.7698	5.0086	-0.0062	-0.2186	0.6573	0.6783	-0.0481	-0.2474	-1.1613	0.3301	0.0708	0.6585	-0.1012	0.0836	0.4236	-0.0483	0.4693	31.2812	71.9345	41.1484
36	1.2708	1.3409	-1.3267	8.3759	-3.7144	2.8246	0.5173	-0.2103	-0.3414	0.3795	0.0896	0.8106	-0.184	-0.5807	-0.42	0.3429	-0.0264	0.0933	0.5235	0.0686	0.3625	24.9069	58.2136	44.7262
37	2.9494	-2.6276	1.6047	3.1192	-0.8912	1.2293	-0.0837	-0.2571	0.1231	0.9859	0.2648	0.7629	-1.5995	0.202	-0.0307	0.9139	-0.0475	0.1743	0.5378	-0.1048	0.4599	27.7708	68.671	47.1248
38	3.8481	-0.511	0.3508	0.7597	-0.0662	1.7923	0.0117	0.0911	1.6018	0.5937	0.6105	-1.5273	-0.7155	1.1514	-0.3178	0.87	-0.279	-0.2721	0.7884	0.0003	0.9294	45.3388	76.0271	41.7999
39	2.1662	0.6247	1.0406	5.5611	-1.4659	6.4376	-0.0946	-0.4492	-0.12	0.75	-0.3767	-0.8649	-0.153	0.7598	0.1833	0.5513	0.035	-0.0699	0.6395	0.1062	0.614	37.1409	46.799	49.3472
40	1.9417	-4.2881	2.4282	9.4134	-5.3716	3.0875	0.2061	0.251	-1.3026	-0.6338	-0.721	-0.7099	0.9737	0.8578	0.4234	0.5439	0.1657	-0.0518	0.571	-0.0534	0.5643	44.7715	42.2549	46.863
41	6.2344	0.295	3.6122	8.5304	2.4514	8.7429	0.6102	0.4441	-0.6628	-1.237	-0.1503	-0.5989	0.2507	0.8045	-0.4957	0.4395	0.1416	-0.1031	0.542	-0.0099	0.3712	40.1449	48.1843	38.0746
42	6.5236	1.1155	3.2381	5.0719	-0.9024	2.1153	0.036	-0.692	1.0781	1.2534	0.0765	1.1918	0.3368	1.4692	0.1701	0.5425	0.0049	-0.038	0.5526	-0.0244	0.2831	37.9077	57.5283	54.3834
43	9.6009	4.3855	1.3335	6.9399	-0.1468	2.0397	0.4306	0.8041	0.0533	-0.0417	-0.1345	-0.7234	0.7376	1.3708	-0.2367	0.3665	0.139	-0.0331	0.5366	0.0573	0.3388	46.2398	54.2336	38.6282
44	6.1812	-1.6456	-4.7788	2.944	-0.7645	5.9397	0.1001	-0.4494	0.2523	0.0566	-0.5839	-0.1233	-1.1479	0.3702	0.3153	0.7696	-0.2692	-0.2627	0.7404	0.0088	0.7733	45.1507	64.6273	48.9502
45	5.2126	-1.5585	5.5925	0.756	-1.4383	7.4019	0.2779	-0.02	0.0921	-0.6009	-0.3695	-1.4603	-0.1537	3.4745	0.3568	0.6334	-0.0216	0.045	1.5074	0.1933	1.0088	56.9914	62.2348	33.5758
46	5.0428	6.4326	-3.042	9.2449	-2.8178	2.9813	0.454	0.8233	0.3003	-0.6326	-0.1192	-0.1802	0.6389	1.4064	-0.2636	0.3605	0.0914	-0.0185	0.6494	0.094	0.4632	38.8624	54.8792	31.6067
47	3.6718	-1.7665	0.4097	6.0497	2.3861	1.4788	-0.2386	1.1633	0.8702	-0.968	-0.3538	-1.1153	-0.2558	1.2613	0.3479	0.3529	-0.014	0.134	1.0946	0.1817	0.614	48.1099	59.5791	33.4239
48	1.0224	0.8631	0.5895	2.3633	0.1064	4.1259	0.3647	0.6781	-0.4281	-0.0184	-0.3096	-0.8549	0.2354	0.686	0.0069	0.4644	0.1138	-0.1773	1.0909	0.0667	0.8252	51.0149	49.8668	48.1102
49	1.2997	0.0811	-0.55	4.1626	-2.4577	6.7611	0.3909	-0.588	0.5481	-0.3144	-0.4715	-1.6336	0.0239	2.3157	-0.0117	0.272	-0.3818	-0.3657	0.9543	0.0691	0.8084	52.3466	60.5782	49.4653
50	1.6013	-1.5769	0.9817	3.2532	0.2361	2.1637	-0.3487	-0.2665	-0.8255	0.2935	0.5323	0.6689	0.9658	-0.8964	-0.0127	0.5477	-0.163	0.0046	0.6099	0.1504	0.5751	67.1496	18.9947	34.8219
51	3.9867	1.5635	-0.3969	7.5805	0.1074	3.9592	-0.1442	-0.113	0.3642	0.0785	0.1633	0.6732	-0.1777	-1.138	-0.0228	0.3982	0.0539	-0.0383	0.5812	0.0402	0.3687	63.2383	31.7833	32.7709
52	5.1277	-2.0535	1.9576	5.6041	-0.6782	5.4508	-0.192	-0.6198	0.4681	0.5506	0.2042	0.5537	-0.2329	-1.3632	0.0169	0.4909	0.0724	0.0296	0.6802	0.0474	0.4447	66.1374	30.287	41.2536
53	3.9199	-4.4897	3.0389	7.8829	-2.4558	2.8942	0.0272	-0.2354	-0.8801	0.143	0.5356	-0.1114	0.9782	0.4211	-0.4522	0.5575	0.035	0.0234	0.4183	0.0066	0.3797	79.4298	23.5703	44.3576
54	7.9959	-1.4995	-0.264	4.9657	2.4673	3.9938	-0.3394	-0.9107	0.3083	0.7926	-0.0702	0.5544	-0.5693	-1.3248	0.4543	0.6081	0.1261	0.0166	0.806	-0.0633	0.343	65.9311	35.0883	44.5529
55	4.3369	0.0727	0.8584	4.069	2.154	8.0528	-0.0796	-0.0842	0.0966	0.6614	0.2371	-0.8764	-0.2916	1.3705	-0.256	0.4818	-0.0501	-0.1824	0.4743	-0.0518	0.5535	91.547	38.4671	44.7949
56	6.8443	3.6218	4.7221	4.3851	3.4505	4.717	0.2906	-2.4642	-0.5137	1.4082	-0.1046	-0.4957	-0.9694	-0.1975	-0.1529	0.6949	-0.0312	0.0217	0.6382	-0.0485	0.3655	80.1795	36.139	55.1406
57	6.6259	-0.7812	1.7013	4.3174	-0.6024	2.3017	-0.1681	0.1439	1.1536	0.1847	-0.0431	0.183	-1.6225	-0.2409	0.0449	0.863	0.0386	-0.151	0.3233	-0.0482	0.5347	78.5116	46.461	41.3819
58	8.3898	-5.866	2.1796	6.4708	-2.8235	3.0006	-0.4976	0.7213	0.5698	-0.5593	0.0107	0.9341	-0.4662	0.0285	0.4156	0.4978	-0.0463	-0.0917	0.34	0.0473	0.4419	82.9962	37.3683	31.3062
59	9.3862	-5.4723	-4.6307	3.3494	2.7787	2.465	-0.3456	1.3596	1.0423	-0.9905	-1.5575	1.8173	-2.1937	-0.3833	0.2778	1.2047	-0.118	-0.3843	0.2564	0.1772	0.5917	78.4879	46.7577	33.0854
60	3.7669	-0.0766	2.9864	1.4761	1.0132	4.6712	-0.4737	-0.0062	1.0707	-0.0181	-0.0476	-0.0551	-1.7732	-0.0059	0.4239	1.1574	0.0287	-0.2403	0.438	-0.113	0.7938	83.3056	50.2731	48.3373

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 1290 through 1311 )	A	0
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 1312 through 1330 )	A	0
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 1331 through 1357 )	A	0
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 1358 through 1373 )	A	0
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 1374 through 1393 )	A	0
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 1394 through 1403 )	A	0
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 1404 through 1422 )	A	0
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 1 through 14 )	B	1 - 14
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 15 through 23 )	B	15 - 23
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 24 through 29 )	B	24 - 29
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 30 through 36 )	B	30 - 36
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 37 through 43 )	B	37 - 43
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 44 through 60 )	B	44 - 60
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 61 through 67 )	B	61 - 67
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 68 through 86 )	B	68 - 86
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 87 through 97 )	B	87 - 97
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 98 through 111 )	B	98 - 111
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 112 through 123 )	B	112 - 123
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 1290 through 1311 )	C	0
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 1312 through 1356 )	C	0
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 1357 through 1373 )	C	0
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 1374 through 1393 )	C	0
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 1394 through 1403 )	C	0
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 1404 through 1422 )	C	0
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 1 through 29 )	D	1 - 29
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 30 through 52 )	D	30 - 52
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 53 through 75 )	D	53 - 75
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 76 through 86 )	D	76 - 86
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 87 through 97 )	D	87 - 97
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 98 through 111 )	D	98 - 111
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 112 through 123 )	D	112 - 123
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 1291 through 1311 )	E	0
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 1312 through 1330 )	E	0
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 1331 through 1356 )	E	0
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 1357 through 1393 )	E	0
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 1394 through 1403 )	E	0
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 1404 through 1413 )	E	0
38	X-RAY DIFFRACTION	38	chain 'E' and (resid 1414 through 1422 )	E	0
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 1 through 14 )	F	1 - 14
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 15 through 23 )	F	15 - 23
41	X-RAY DIFFRACTION	41	chain 'F' and (resid 24 through 35 )	F	24 - 35
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 36 through 44 )	F	36 - 44
43	X-RAY DIFFRACTION	43	chain 'F' and (resid 45 through 57 )	F	45 - 57
44	X-RAY DIFFRACTION	44	chain 'F' and (resid 58 through 67 )	F	58 - 67
45	X-RAY DIFFRACTION	45	chain 'F' and (resid 68 through 75 )	F	68 - 75
46	X-RAY DIFFRACTION	46	chain 'F' and (resid 76 through 86 )	F	76 - 86
47	X-RAY DIFFRACTION	47	chain 'F' and (resid 87 through 97 )	F	87 - 97
48	X-RAY DIFFRACTION	48	chain 'F' and (resid 98 through 111 )	F	98 - 111
49	X-RAY DIFFRACTION	49	chain 'F' and (resid 112 through 123 )	F	112 - 123
50	X-RAY DIFFRACTION	50	chain 'G' and (resid 1291 through 1311 )	G	0
51	X-RAY DIFFRACTION	51	chain 'G' and (resid 1312 through 1357 )	G	0
52	X-RAY DIFFRACTION	52	chain 'G' and (resid 1358 through 1393 )	G	0
53	X-RAY DIFFRACTION	53	chain 'G' and (resid 1394 through 1403 )	G	0
54	X-RAY DIFFRACTION	54	chain 'G' and (resid 1404 through 1422 )	G	0
55	X-RAY DIFFRACTION	55	chain 'H' and (resid 1 through 36 )	H	1 - 36
56	X-RAY DIFFRACTION	56	chain 'H' and (resid 37 through 43 )	H	37 - 43
57	X-RAY DIFFRACTION	57	chain 'H' and (resid 44 through 75 )	H	44 - 75
58	X-RAY DIFFRACTION	58	chain 'H' and (resid 76 through 86 )	H	76 - 86
59	X-RAY DIFFRACTION	59	chain 'H' and (resid 87 through 97 )	H	87 - 97
60	X-RAY DIFFRACTION	60	chain 'H' and (resid 98 through 123 )	H	98 - 123

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