PDB-6obg: Ricin A chain bound to VHH antibody V8E6

ID or keywords:

Entry

Database: PDB / ID: 6obg

Title

Ricin A chain bound to VHH antibody V8E6

Components

Ricin A chain
VHH antibody V8E6

Keywords

TOXIN

Function / homology

Function and homology information

rRNA N-glycosylase /

rRNA N-glycosylase activity / AMP binding / defense response /

toxin activity /

carbohydrate binding / killing of cells of another organism / negative regulation of translation
Similarity search - Function

Biological species

Ricinus communis (castor bean)

Vicugna pacos (alpaca)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.996 Å

Authors

Rudolph, M.J.

Funding support

United States, 1items

Citation

Journal: J.Mol.Biol. / Year: 2020
Title: Intracellular Neutralization of Ricin Toxin by Single-domain Antibodies Targeting the Active Site.
Authors: Rudolph, M.J. / Czajka, T.F. / Davis, S.A. / Thi Nguyen, C.M. / Li, X.P. / Tumer, N.E. / Vance, D.J. / Mantis, N.J.

History

Deposition	Mar 20, 2019	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 1, 2020	Provider: repository / Type: Initial release
Revision 1.1	Oct 14, 2020	Group: Database references / Derived calculations Category: citation / citation_author ...citation / citation_author / pdbx_struct_conn_angle / struct_conn Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _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.ptnr1_symmetry / _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.ptnr2_symmetry / _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.ptnr3_symmetry / _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.ptnr1_symmetry / _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.ptnr2_symmetry

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6obg.cif.gz	316.2 KB	Display	PDBx/mmCIF format
PDB format	pdb6obg.ent.gz	266 KB	Display	PDB format
PDBx/mmJSON format	6obg.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ob/6obg ftp://data.pdbj.org/pub/pdb/validation_reports/ob/6obg	HTTPS FTP

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Related structure data

Related structure data	6obcC 6obeC 6obmC 6oboC 6ocaC 6ocdC C: citing same article (ref.)
Similar structure data	4qfu-3 6e45-4 6pz1-2 5vp5-d 2ifa-1 6e43-2 4qfu-11 4u72-1 2x2y-1 4qfu-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) 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	#161 - May 2013 Ricin similarity (15) #69 - Sep 2005 Cholera Toxin similarity (15) #21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1)

Deposited unit

A: Ricin A chain

B: Ricin A chain

C: VHH antibody V8E6

D: VHH antibody V8E6

hetero molecules

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

1

A: Ricin A chain

C: VHH antibody V8E6

hetero molecules

defined by author&software
Evidence: surface plasmon resonance
42 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Ricin A chain

D: VHH antibody V8E6

hetero molecules

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

Unit cell

Length a, b, c (Å)	59.795, 77.885, 92.597
Angle α, β, γ (deg.)	90.000, 98.950, 90.000
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	(chain A and (resid 5 through 79 or resid 81 through 261))
2	1	(chain B and (resid 5 through 79 or resid 81 through 261))
1	2	(chain C and (resid 3 through 41 or resid 44 through 119))
2	2	(chain D and (resid 3 through 41 or resid 44 through 119))

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Selection details	Auth asym-ID	Auth seq-ID
1	1	1	(chain A and (resid 5 through 79 or resid 81 through 261))	A	5 - 79
1	2	1	(chain A and (resid 5 through 79 or resid 81 through 261))	A	81 - 261
2	1	1	(chain B and (resid 5 through 79 or resid 81 through 261))	B	5 - 79
2	2	1	(chain B and (resid 5 through 79 or resid 81 through 261))	B	81 - 261
1	1	2	(chain C and (resid 3 through 41 or resid 44 through 119))	C	3 - 41
1	2	2	(chain C and (resid 3 through 41 or resid 44 through 119))	C	44 - 119
2	1	2	(chain D and (resid 3 through 41 or resid 44 through 119))	D	3 - 41
2	2	2	(chain D and (resid 3 through 41 or resid 44 through 119))	D	44 - 119

NCS ensembles :

ID
1
2

#1: Protein	Ricin A chain Mass: 28806.449 Da / Num. of mol.: 2 / Fragment: Toxin catalytic subunit, residues 40-296 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Ricinus communis (castor bean) / Production host: Escherichia coli (E. coli) / References: UniProt: P02879, rRNA N-glycosylase
#2: Antibody	VHH antibody V8E6 Mass: 12764.086 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Vicugna pacos (alpaca) / Production host: Escherichia coli (E. coli)
#3: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: Zn
#4: Chemical	ChemComp-CL / CHLORIDE ION / Chloride Mass: 35.453 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Cl
#5: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 324 / 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: 2.56 Å³/Da / Density % sol: 51.99 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion / pH: 6 Details: 100 mM MES (pH 6.0), 170 mM zinc acetate, 6% PEG 8,000, and 0.5% ethyl acetate

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 24-ID-C / Wavelength: 0.979 Å

Detector

Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Mar 17, 2017

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.979 Å / Relative weight: 1

Reflection

Resolution: 1.996→50 Å / Num. obs: 54931 / % possible obs: 96.2 % / Redundancy: 3.2 % / R_merge(I) obs: 0.081 / R_pim(I) all: 0.052 / R_rim(I) all: 0.097 / Χ²: 0.891 / Net I/σ(I): 5.3

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	Χ²	% possible all
2-2.03	2.9	0.71	2570	0.687	0.487	0.865	0.451	91.8
2.03-2.07	2.8	0.614	2615	0.748	0.42	0.747	0.46	91.9
2.07-2.11	3.1	0.491	2735	0.841	0.32	0.588	0.464	95.9
2.11-2.15	3.3	0.43	2720	0.873	0.275	0.512	0.478	96.3
2.15-2.2	3.2	0.351	2756	0.907	0.226	0.419	0.495	96.9
2.2-2.25	3.2	0.304	2747	0.915	0.196	0.363	0.522	96.6
2.25-2.31	3.2	0.26	2778	0.943	0.168	0.31	0.514	97.2
2.31-2.37	3.2	0.23	2758	0.948	0.15	0.276	0.534	97.2
2.37-2.44	3.1	0.213	2732	0.956	0.141	0.256	0.563	96.6
2.44-2.52	2.9	0.197	2692	0.959	0.133	0.239	0.569	93.5
2.52-2.61	3.3	0.147	2781	0.98	0.094	0.175	0.6	98.1
2.61-2.71	3.3	0.13	2801	0.981	0.082	0.154	0.681	98.1
2.71-2.84	3.3	0.113	2794	0.983	0.072	0.134	0.722	98
2.84-2.99	3.3	0.09	2804	0.988	0.057	0.107	0.781	98
2.99-3.17	3.2	0.081	2760	0.988	0.054	0.097	0.96	96.8
3.17-3.42	3.2	0.077	2706	0.99	0.049	0.092	1.222	95
3.42-3.76	3.4	0.071	2832	0.99	0.044	0.084	1.502	98.3
3.76-4.31	3.3	0.065	2805	0.993	0.041	0.077	1.785	97.4
4.31-5.43	3.2	0.061	2729	0.993	0.039	0.073	1.984	94.3
5.43-50	3.3	0.057	2816	0.995	0.036	0.067	2.119	95.7

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Processing

Software

Name	Version	Classification
SCALEPACK		data scaling
PHENIX	1.11.1_2575	refinement
PDB_EXTRACT	3.24	data extraction
HKL-2000		data reduction
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.996→45.735 Å / SU ML: 0.23 / Cross valid method: THROUGHOUT / σ(F): 1.37 / Phase error: 28.15

	R_factor	Num. reflection	% reflection
R_free	0.218	2655	4.84 %
R_work	0.189	-	-
obs	0.1905	54868	95.94 %

Solvent computation

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

Displacement parameters

B_iso max: 124.41 Å² / B_iso mean: 52.7046 Å² / B_iso min: 22.11 Å²

Refinement step

Cycle: final / Resolution: 1.996→45.735 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5843	0	12	324	6179
B_iso mean	-	-	59.01	52.57	-
Num. residues	-	-	-	-	746

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	5977
X-RAY DIFFRACTION	f_angle_d	0.797	8121
X-RAY DIFFRACTION	f_chiral_restr	0.053	896
X-RAY DIFFRACTION	f_plane_restr	0.006	1069
X-RAY DIFFRACTION	f_dihedral_angle_d	15.321	3553

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Rms	Type
1	1	A	2429	X-RAY DIFFRACTION	7.95	TORSIONAL
1	2	B	2429	X-RAY DIFFRACTION	7.95	TORSIONAL
2	1	C	1045	X-RAY DIFFRACTION	7.95	TORSIONAL
2	2	D	1045	X-RAY DIFFRACTION	7.95	TORSIONAL

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 19

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
1.9955-2.0318	0.3314	122	0.2858	2496	2618	88
2.0318-2.0709	0.322	127	0.2717	2653	2780	92
2.0709-2.1132	0.2689	137	0.2579	2714	2851	96
2.1132-2.1591	0.3229	130	0.2517	2762	2892	96
2.1591-2.2094	0.2976	138	0.2409	2761	2899	97
2.2094-2.2646	0.2518	136	0.2347	2746	2882	97
2.2646-2.3258	0.292	137	0.2357	2803	2940	97
2.3258-2.3943	0.2947	139	0.2252	2764	2903	97
2.3943-2.4716	0.2724	132	0.2261	2736	2868	96
2.4716-2.5599	0.2733	138	0.2115	2690	2828	95
2.5599-2.6624	0.2432	147	0.2016	2817	2964	98
2.6624-2.7835	0.2466	155	0.2037	2789	2944	98
2.7835-2.9302	0.2616	130	0.2023	2800	2930	98
2.9302-3.1138	0.2405	166	0.1966	2780	2946	97
3.1138-3.3541	0.2335	141	0.1892	2721	2862	95
3.3541-3.6916	0.1977	129	0.1702	2842	2971	98
3.6916-4.2254	0.1595	144	0.1523	2796	2940	98
4.2254-5.3223	0.1686	161	0.1488	2712	2873	94
5.3223-45.7469	0.1907	146	0.1795	2831	2977	96

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	1.0549	-0.9399	-0.5206	5.9428	-0.4659	3.7775	0.1101	0.1489	-0.0027	-0.1075	-0.0807	0.3149	-0.0455	-0.1573	-0.0356	0.2957	-0.0428	-0.015	0.2521	-0.0001	0.1904	-7.6655	0.8675	33.7841
2	1.8514	-2.6986	1.0008	4.3607	-0.4615	4.2828	-0.0155	-0.0291	0.0051	0.4863	0.0354	-0.078	0.1186	0.1315	0.0177	0.3998	-0.0181	0.0144	0.2237	0.0024	0.1818	-3.1004	-1.9092	46.9916
3	6.689	-3.3024	-1.887	2.2109	0.8096	3.9971	-0.0795	-0.3738	0.1005	0.6179	0.1928	-0.0244	-0.3943	0.0551	-0.0666	0.6672	0.0004	0.0542	0.3158	-0.057	0.2942	-2.9865	5.4985	53.5295
4	1.6085	0.5502	-0.5153	3.9559	-0.4884	3.1183	-0.0294	-0.0633	-0.0685	-0.1238	0.0369	-0.3292	0.1687	0.2871	-0.0237	0.2897	0.0251	0.0033	0.2337	-0.0407	0.2217	8.4938	-4.0559	35.8974
5	7.8264	-1.3404	-2.9821	4.1849	1.4683	6.5172	0.4826	0.2067	0.6065	-0.5559	-0.1201	-0.41	-0.8414	0.2938	-0.3581	0.5641	-0.0438	0.0728	0.2848	0.0099	0.3036	5.7421	7.9127	23.245
6	3.7681	-0.24	-0.1874	9.9	-0.8316	5.4227	-0.1356	0.463	0.3433	-1.0963	-0.1594	-0.789	-0.1554	0.3035	0.2342	0.5383	-0.0433	0.1047	0.3671	0.0554	0.4059	23.4859	-16.5309	-7.8649
7	3.8107	0.991	1.1472	3.4175	1.1995	1.7929	-0.1212	0.5013	-0.2711	-0.3937	0.2197	-0.7433	0.0798	0.2514	-0.061	0.5343	0.0038	0.113	0.3273	-0.0147	0.4274	23.1034	-26.5367	-4.1077
8	6.0432	1.0969	4.235	4.5292	3.0874	7.1689	-0.069	-0.1941	-0.0923	0.1582	-0.1463	-0.5792	0.1253	-0.0841	0.2506	0.4982	0.0071	0.0702	0.2625	0.0176	0.5021	27.7596	-25.5653	7.5306
9	5.4909	-1.2658	-1.9328	0.8816	1.2458	3.6934	-0.2436	-0.3175	-0.1233	0.2987	0.0755	-0.7239	0.1786	0.4236	0.1411	0.5785	0.0753	-0.0367	0.2976	0.0177	0.7744	31.9636	-28.8074	9.486
10	3.26	0.9381	0.2641	1.8716	-3.1644	6.5709	-0.1461	-0.4139	0.2288	0.9122	-0.1255	-0.0289	-0.7437	-0.3884	0.2975	0.7097	0.0237	0.0345	0.311	-0.0767	0.3755	13.9744	-15.3935	13.9906
11	4.8716	-0.5705	2.9499	0.2855	-1.1674	4.9451	-0.2421	-0.268	0.6053	0.8681	-0.2669	-1.0255	-0.3659	0.1305	0.4766	0.8014	-0.0788	-0.1932	0.3234	-0.0153	0.7504	28.805	-9.8469	9.7568
12	5.3257	0.2705	4.3944	1.7325	-0.8425	8.6456	-0.1694	-0.2789	0.6515	0.4185	-0.2149	-0.068	-0.1998	-0.0481	0.2505	0.4926	-0.0071	0.01	0.2078	-0.0336	0.3657	19.2721	-16.4734	7.2016
13	9.2309	3.8407	-1.1045	9.6581	-0.8989	7.6595	-0.1361	0.5076	1.3598	-0.2592	0.2821	0.365	-0.9363	0.0457	-0.0864	0.5798	0.0322	-0.0581	0.2911	0.0257	0.4781	10.7745	-9.418	-1.9122
14	4.2725	1.0032	0.5818	5.0891	1.395	4.6298	0.0091	-0.0976	0.2673	-0.0672	-0.0225	0.5008	0.1512	-0.4601	0.0475	0.6166	0.0055	0.0961	0.3016	0.0184	0.3081	1.435	-26.2111	1.2963
15	9.2906	-1.4511	-0.0729	4.7866	0.4168	4.4131	0.1169	-0.0097	-0.5635	-0.1189	0.0246	0.281	0.5753	-0.628	-0.0534	0.6615	-0.0772	0.0255	0.3603	-0.0099	0.2489	3.2221	-28.6176	-3.8522
16	5.0885	2.6535	-0.3987	2.1427	-0.968	0.7428	0.0939	-0.5313	1.5748	0.1501	0.1613	-0.8281	-0.167	0.7973	-0.1273	0.4595	-0.0721	-0.0688	0.6892	-0.0578	0.9357	30.1401	21.0987	37.9703
17	1.1046	-0.518	0.3793	4.5759	0.5626	1.3702	0.277	-1.9616	1.2485	0.4391	-0.1143	-0.257	-0.2728	1.0867	-0.1717	0.5212	-0.0416	-0.0549	0.8381	-0.2625	0.6576	26.9399	14.5635	40.7002
18	2.0187	4.2531	-6.5327	6.5744	-4.6702	4.9903	-0.1008	0.2731	0.7668	-0.2876	0.4585	0.0423	0.2356	0.7397	-0.3799	0.4465	-0.0901	0.0031	0.6802	-0.0626	0.4898	24.484	13.4235	32.3747
19	3.9225	2.5149	-2.0829	4.6322	-4.3136	4.0733	-0.5325	1.5839	-0.2621	-0.9928	0.9141	0.2322	-0.1963	-1.1008	-0.4863	0.6941	-0.1687	0.0629	1.0646	-0.1608	0.6428	24.2568	12.1123	28.2375
20	2.7595	1.5911	-0.1559	2.8521	-1.1734	0.6194	-0.2738	0.0478	-0.2763	-0.259	0.3277	-0.8563	0.328	0.6012	-0.0229	0.3546	-0.0838	0.0334	0.7832	-0.2632	0.6841	28.6632	4.5441	35.3258
21	7.3138	0.6791	0.0223	2.784	-0.9581	0.3411	0.0467	-0.1842	-0.0188	0.1632	0.1532	-0.504	-0.258	0.9884	-0.1328	0.4422	-0.1411	-0.0476	1.1081	-0.3421	0.6815	28.7998	11.5731	43.4411
22	2.5253	2.6903	0.0801	4.6415	-1.9224	2.2842	-0.1574	-0.0429	0.6324	-0.4168	0.0216	-0.2421	-0.1147	0.7712	0.0818	0.6289	-0.1814	0.1288	0.7582	-0.175	0.5719	30.2402	14.4494	30.1511
23	6.6638	2.1685	1.2909	4.9555	-0.5299	3.0272	0.1319	-0.5633	1.0129	0.0814	0.0731	-0.4535	-0.844	0.3235	-0.2791	0.5466	-0.0467	0.0392	0.3639	-0.1895	0.5126	12.3624	13.8711	37.5984
24	5.2871	2.9555	1.0407	3.5768	-2.2717	4.4349	0.3138	-0.2572	-0.3615	1.1287	-0.136	1.5618	0.3838	-0.4273	-0.1454	0.9992	-0.2377	0.1903	0.5571	-0.0401	0.7406	36.1599	20.6867	28.1453
25	5.0985	-1.6636	-0.2392	2.9592	0.6564	3.6269	-0.1371	-0.4387	-0.4745	0.0264	0.435	0.5863	0.0468	-0.1176	-0.3285	1.0361	0.0761	0.2294	0.442	0.1808	0.5663	-8.3786	-34.1383	27.2765
26	9.354	2.1073	-1.7215	3.9121	-2.3298	2.4476	-0.1247	-0.1843	-0.9925	0.171	0.0908	-0.1838	0.3045	0.0052	0.0652	0.794	0.0169	0.0322	0.3407	-0.0428	0.328	3.0448	-31.7502	20.4541
27	5.848	5.6041	5.471	6.2689	4.9436	5.0012	-0.5754	0.6739	-0.9098	-0.6954	0.8608	0.0859	-0.2852	-0.2333	-0.3132	0.7721	-0.0784	-0.0136	0.613	0.0225	0.4303	-6.4763	-29.2241	13.3146
28	3.7459	4.0444	-1.1139	4.4049	-1.0918	0.5351	0.234	-0.2167	1.6063	0.0443	0.1014	0.8154	-0.1308	-0.1407	-0.3464	0.8491	0.0448	0.1665	0.3433	0.0162	0.3892	-1.2203	-19.5928	17.2642
29	7.6942	-3.2226	1.4221	3.8004	0.0342	1.0105	-0.044	-0.6373	0.1241	0.427	0.2118	0.1084	-0.0338	-0.3067	-0.2136	0.8772	0.0089	0.1484	0.4051	0.0174	0.3007	-0.3006	-25.3512	25.5137
30	6.9647	2.0613	-3.9951	2.0946	-1.7745	3.3223	-0.5138	0.1201	-0.0239	-0.1117	0.2893	0.1972	0.6473	-0.1713	0.2753	0.755	-0.0299	0.0328	0.3628	-0.0461	0.2957	-0.417	-31.8577	15.8063
31	7.2074	0.4125	-4.7444	0.4117	1.2379	9.0037	0.4402	0.9753	0.584	-0.05	0.0586	0.5422	0.1037	-0.5599	-0.4941	1.0394	-0.0372	0.0341	0.4416	0.1378	0.4597	-14.8085	-35.1358	24.148

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 5 through 56 )	A	5 - 56
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 57 through 97 )	A	57 - 97
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 98 through 122 )	A	98 - 122
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 123 through 238 )	A	123 - 238
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 239 through 261 )	A	239 - 261
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 5 through 32 )	B	5 - 32
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 33 through 75 )	B	33 - 75
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 76 through 97 )	B	76 - 97
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 98 through 122 )	B	98 - 122
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 123 through 140 )	B	123 - 140
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 141 through 160 )	B	141 - 160
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 161 through 180 )	B	161 - 180
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 181 through 201 )	B	181 - 201
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 202 through 238 )	B	202 - 238
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 239 through 261 )	B	239 - 261
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 3 through 12 )	C	3 - 12
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 13 through 32 )	C	13 - 32
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 33 through 39 )	C	33 - 39
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 40 through 52 )	C	40 - 52
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 53 through 72 )	C	53 - 72
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 73 through 82 )	C	73 - 82
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 83 through 99 )	C	83 - 99
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 100 through 113 )	C	100 - 113
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 114 through 119 )	C	114 - 119
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 3 through 17 )	D	3 - 17
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 18 through 39 )	D	18 - 39
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 40 through 52 )	D	40 - 52
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 53 through 63 )	D	53 - 63
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 64 through 82 )	D	64 - 82
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 83 through 113 )	D	83 - 113
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 114 through 119 )	D	114 - 119

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