PDB-3inu: Crystal structure of an unbound KZ52 neutralizing anti-Ebolavirus...

ID or keywords:

Entry

Database: PDB / ID: 3inu

Title

Crystal structure of an unbound KZ52 neutralizing anti-Ebolavirus antibody.

Components

KZ52 antibody fragment heavy chain
KZ52 antibody fragment light chain

Keywords

IMMUNE SYSTEM / antibody fragment (Fab) / immunoglobulin fold

Function / homology

Immunoglobulins /

Immunoglobulin-like /

Sandwich / Mainly Beta

Function and homology information

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.5 Å

Authors

Lee, J.E. / Fusco, M.L. / Abelson, D.M. / Hessell, A.J. / Burton, D.R. / Saphire, E.O.

Citation

Journal: Acta Crystallogr.,Sect.D / Year: 2009
Title: Techniques and tactics used in determining the structure of the trimeric ebolavirus glycoprotein.
Authors: Lee, J.E. / Fusco, M.L. / Abelson, D.M. / Hessell, A.J. / Burton, D.R. / Saphire, E.O.

History

Deposition	Aug 12, 2009	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 27, 2009	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Non-polymer description / Version format compliance
Revision 1.2	Jun 19, 2013	Group: Database references
Revision 1.3	Jul 24, 2019	Group: Data collection / Refinement description / Category: software Item: _software.classification / _software.contact_author ..._software.classification / _software.contact_author / _software.contact_author_email / _software.date / _software.language / _software.location / _software.name / _software.version
Revision 1.4	Sep 6, 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 / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3inu.cif.gz	356.7 KB	Display	PDBx/mmCIF format
PDB format	pdb3inu.ent.gz	295.7 KB	Display	PDB format
PDBx/mmJSON format	3inu.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/in/3inu ftp://data.pdbj.org/pub/pdb/validation_reports/in/3inu	HTTPS FTP

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Related structure data

Related structure data	1n0xS 3csy S: Starting model for refinement
Similar structure data	6b5m-d 5mv4-4 1mrd-d 6ell-2 6foe-1 4xmk-1 5mvj-1 5b3j-4 2vl5-2 6cdm-1 4r96-1 5mub-4 5trp-d 5mp1-4 5mub-2 5b6f-2 6bzw-1 4zyk-2 6wg0-d 5mv3-3 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 - HomologyF&H Search

Related structure data

1n0xS

3csy

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	#21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1)

Deposited unit

H: KZ52 antibody fragment heavy chain

L: KZ52 antibody fragment light chain

M: KZ52 antibody fragment heavy chain

N: KZ52 antibody fragment light chain

hetero molecules

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

1

H: KZ52 antibody fragment heavy chain

L: KZ52 antibody fragment light chain

hetero molecules

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

2

M: KZ52 antibody fragment heavy chain

N: KZ52 antibody fragment light chain

hetero molecules

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

Unit cell

Length a, b, c (Å)	129.520, 129.520, 184.960
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	154
Space group name H-M	P3₂21

#1: Antibody	KZ52 antibody fragment heavy chain Mass: 24020.977 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Cricetulus griseus (Chinese hamster)
#2: Antibody	KZ52 antibody fragment light chain Mass: 23896.557 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Cricetulus griseus (Chinese hamster)
#3: Chemical	ChemComp-SO4 / SULFATE ION / Sulfate Mass: 96.063 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: SO₄
#4: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol Mass: 92.094 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₃H₈O₃
#5: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 76 / 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: 4.68 Å³/Da / Density % sol: 73.71 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 1.5 M ammonium sulfate, 0.1 M Tris-HCl pH 8.5 and 12% (v/v) glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ALS / Beamline: 8.3.1 / Wavelength: 1.11588 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Apr 14, 2007
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.11588 Å / Relative weight: 1
Reflection	Resolution: 2.5→47.96 Å / Num. obs: 114050 / % possible obs: 99 % / Redundancy: 6.99 % / R_merge(I) obs: 0.118 / Χ²: 0.86 / Net I/σ(I): 7.5 / Scaling rejects: 48200
Reflection shell	Resolution: 2.5→2.59 Å / Redundancy: 6.41 % / R_merge(I) obs: 0.627 / Mean I/σ(I) obs: 2 / Num. measured all: 42658 / Num. unique all: 6117 / Χ²: 0.99 / % possible all: 98.8

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Phasing

Phasing

Method:

molecular replacement

Phasing MR

Cor.coef. F_o:F_c: 0.464 / Packing: 0.269

	Highest resolution	Lowest resolution	Method	Reflection percent	σ(F)
Translation	4 Å	15 Å	general	98.9	0

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Processing

Software

Name	Version	Classification
PHENIX		refinement
CNS		refinement
d*TREK	9.6D	data scaling
PDB_EXTRACT	3.005	data extraction
Blu-Ice		data collection
d*TREK		data reduction
CNS		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB entry 1N0X

1n0x

Resolution: 2.5→47.955 Å / Occupancy max: 1 / Occupancy min: 1 / SU ML: 0.43 / Cross valid method: THROUGHOUT / σ(F): 0.02 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.252	5622	4.93 %	random
R_work	0.203	-	-	-
obs	0.205	114050	94.96 %	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 56.866 Å² / k_sol: 0.374 e/Å³

Displacement parameters

B_iso max: 181.98 Å² / B_iso mean: 66.853 Å² / B_iso min: 29.53 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	2.274 Å²	-0 Å²	-0 Å²
2-	-	2.274 Å²	-0 Å²
3-	-	-	-4.547 Å²

Refinement step

Cycle: LAST / Resolution: 2.5→47.955 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6706	0	64	76	6846

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	6917
X-RAY DIFFRACTION	f_angle_d	1.202	9397
X-RAY DIFFRACTION	f_chiral_restr	0.077	1055
X-RAY DIFFRACTION	f_plane_restr	0.005	1195
X-RAY DIFFRACTION	f_dihedral_angle_d	19.22	2425

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.5-2.528	0.425	161	0.395	3310	3471	86
2.528-2.558	0.445	166	0.371	3347	3513	89
2.558-2.589	0.377	177	0.366	3433	3610	89
2.589-2.622	0.385	213	0.34	3371	3584	90
2.622-2.657	0.394	184	0.341	3496	3680	91
2.657-2.693	0.368	208	0.323	3473	3681	92
2.693-2.731	0.346	165	0.319	3409	3574	91
2.731-2.772	0.359	216	0.31	3499	3715	92
2.772-2.816	0.299	171	0.284	3553	3724	92
2.816-2.862	0.333	162	0.285	3541	3703	93
2.862-2.911	0.31	185	0.278	3543	3728	94
2.911-2.964	0.282	183	0.264	3553	3736	93
2.964-3.021	0.319	155	0.263	3669	3824	95
3.021-3.083	0.321	227	0.247	3560	3787	95
3.083-3.15	0.278	174	0.226	3699	3873	96
3.15-3.223	0.279	197	0.221	3638	3835	96
3.223-3.303	0.273	159	0.223	3711	3870	97
3.303-3.393	0.249	217	0.214	3667	3884	97
3.393-3.493	0.218	209	0.194	3663	3872	97
3.493-3.605	0.239	185	0.194	3758	3943	98
3.605-3.734	0.242	200	0.192	3717	3917	98
3.734-3.883	0.226	203	0.18	3744	3947	98
3.883-4.06	0.246	155	0.167	3767	3922	98
4.06-4.274	0.192	224	0.145	3691	3915	98
4.274-4.542	0.183	180	0.132	3766	3946	98
4.542-4.892	0.201	191	0.13	3741	3932	99
4.892-5.384	0.154	196	0.129	3796	3992	99
5.384-6.161	0.209	181	0.154	3769	3950	99
6.161-7.757	0.298	162	0.19	3840	4002	99
7.757-47.963	0.215	216	0.193	3704	3920	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	0.0968	-0.6426	-0.627	1.0691	-1.3912	2.0243	-0.0916	0.1189	0.0758	0.1252	-0.1907	-0.4374	-0.2216	-0.3216	0.3011	0.4001	0.0214	-0.0146	0.4448	0.1116	0.5896	-71.1537	68.1996	-141.7549
2	1.6381	0.4533	-0.2504	2.1887	-3.0938	9.3712	-0.4638	-0.0646	0.0536	0.3162	-0.5081	-0.867	-1.0114	-0.4454	0.8086	0.3578	0.0288	0.0018	0.4002	0.0269	0.5033	-76.9647	70.8707	-141.7761
3	0.9498	-0.8653	-0.0625	0.451	2.4759	3.8144	0.1821	0.2739	-0.1663	0.1656	-0.1667	0.27	0.0213	-0.3395	-0.029	0.2811	0.0908	0.0168	0.4679	0.0552	0.4063	-83.9497	63.5172	-146.9785
4	0.7562	-1.3201	1.5552	0.4446	1.8825	2.7616	-0.1777	-0.394	0.042	-0.0432	-0.0524	0.0065	-0.3168	-0.3145	0.2302	0.3141	0.1204	-0.0166	0.4239	0.0352	0.4428	-83.2684	68.524	-139.2046
5	0.918	-2.2716	0.8694	0.8494	1.0544	-0.2935	0.3966	0.5101	0.0246	-0.2509	-0.2641	0.2902	0.7164	-0.0181	-0.083	0.3639	0.0674	0.018	0.5733	0.0348	0.478	-78.3651	61.982	-146.7585
6	-0.9768	-0.2649	-3.1046	2.1339	1.6488	1.0335	0.1939	0.2387	-0.2957	-0.3552	-0.2349	-0.2365	-0.0189	-0.313	0.0828	0.4041	0.0442	-0.0269	0.6501	0.0394	0.4127	-81.5404	64.9449	-154.2048
7	-0.7792	-0.0187	0.4793	1.3135	-0.4326	1.5079	-0.0835	0.2305	-0.1881	0.1054	0.1216	-0.2312	-0.1017	0.5623	-0.1075	0.3834	-0.0356	0.0196	0.6174	-0.0725	0.494	-55.9441	55.6813	-130.8766
8	0.9024	-0.8518	0.0935	1.9693	-1.2622	1.8281	0.3896	0.1199	0.3502	-0.0238	-0.0554	-0.3113	-0.4913	0.3541	-0.2266	0.3471	-0.1187	0.0582	0.5513	-0.041	0.4722	-50.7201	56.695	-138.0699
9	0.4109	-2.7685	1.0625	1.5777	-0.5146	2.3921	0.2132	0.4171	0.3084	-0.0182	-0.1575	-0.4222	-0.1756	0.583	-0.0234	0.4008	-0.1254	0.0543	0.5708	-0.0317	0.4627	-49.6908	56.3536	-139.3927
10	6.1234	-2.7906	-1.7227	0.0241	-1.3656	2.0085	0.6427	-0.2949	1.2139	-0.0049	-0.188	-0.2809	-0.5618	0.4169	-0.3657	0.5757	-0.226	-0.003	0.6591	-0.1041	0.7608	-49.1781	63.1476	-132.4428
11	0.4542	-0.1895	1.3733	1.607	0.6156	3.6501	-0.6301	-0.1484	0.1856	0.3174	0.5489	0.3684	0.6115	-0.0654	-0.097	0.3102	0.1248	-0.052	0.6761	-0.089	0.5741	-74.4094	43.9518	-156.909
12	-0.1107	0.7764	1.8938	2.0233	0.9437	1.2859	0.7315	0.0998	-0.4719	-0.5493	-0.4539	0.6977	0.1573	0.0952	-0.2457	0.4981	0.163	-0.1424	0.8647	-0.0791	0.6383	-82.2871	48.8373	-164.531
13	1.8594	-0.0553	1.0127	2.514	0.6098	2.0972	0.1765	0.4245	0.4137	0.1327	-0.3026	-0.179	0.3676	0.0948	0.1458	0.3302	0.1312	-0.0359	0.7046	0.0246	0.3669	-73.7899	56.5307	-157.7605
14	0.3901	-3.0669	-0.3135	2.4215	1.6853	1.9577	0.603	0.7448	0.2064	-0.5193	-0.6226	-0.1656	-0.1077	0.3602	0.0519	0.3828	0.1883	0.0189	0.8679	-0.0332	0.3459	-72.2915	53.0412	-164.3935
15	2.2989	-2.0389	0.8501	0.205	0.7771	2.9674	-0.2051	0.3593	-1.1471	0.1961	-0.1726	0.4628	0.0131	-0.4658	0.3381	0.3662	0.0927	0.0406	0.5796	0.0418	0.5821	-80.0465	51.7126	-154.7787
16	0.8404	-0.0359	0.958	1.2196	2.1303	2.8542	0.2469	0.1244	-0.0879	-0.1547	0.3931	-0.6094	-0.2824	0.8952	-0.62	0.2513	0.0405	-0.0001	0.7113	-0.0792	0.4314	-46.29	44.9781	-143.6191
17	0.0837	-0.5141	0.0891	1.8699	0.6574	2.1176	-0.2506	0.0538	0.2686	0.125	0.1325	0.3935	0.3382	0.3072	0.0385	0.1834	0.0352	0.0408	0.5428	-0.0195	0.3056	-48.8717	42.3615	-138.2598
18	5.5406	-1.6563	0.9998	3.2467	-2.1787	3.4866	-0.6047	-0.6309	0.4109	0.2409	0.2488	-0.4008	0.4073	-0.9412	0.2569	0.4778	-0.0381	0.0459	0.8274	-0.0361	0.5366	-49.7829	36.4119	-130.7724
19	0.3272	0.0813	-0.924	0.6928	0.0626	2.2061	0.0697	-0.2449	0.0225	0.0203	0.086	0.2327	-0.3756	-0.9219	-0.2934	0.2651	0.1485	0.0395	0.7141	0.0273	0.4263	-52.2034	46.2711	-142.3095
20	-0.2374	0.9234	2.1364	1.9198	0.2874	3.0803	0.3681	-0.0013	-0.2404	0.3131	0.4852	-0.6712	0.4377	0.4231	-0.5016	0.464	0.0848	-0.0975	0.8902	-0.0784	0.5407	-41.6038	37.0762	-135.386
21	2.8918	1.1777	0.9277	0.1632	0.4055	2.6268	-0.4276	0.0273	-0.3299	-0.038	0.0491	0.0712	0.003	0.5209	0.2997	0.4223	-0.0268	-0.0397	0.4616	-0.0093	0.4952	-33.8806	34.5273	-173.0496
22	2.1506	1.1092	2.3453	0.8905	0.1387	1.897	-0.2333	0.6074	-0.2963	-0.0965	0.1307	0.1428	-0.0112	0.162	0.0464	0.3784	-0.0946	0.0197	0.4275	-0.0483	0.4407	-32.4188	38.2986	-184.1863
23	2.3903	2.8619	1.6788	1.767	-0.7822	4.7331	-0.1731	0.0167	0.2979	0.0652	-0.0183	-0.0729	-0.411	0.2174	0.1633	0.3474	-0.0358	-0.0411	0.3797	0.0073	0.4071	-31.0714	44.8907	-176.9535
24	0.748	1.551	2.9755	4.7938	1.303	1.6321	-0.1895	-0.4483	0.5909	-0.368	0.2028	0.7869	-0.2493	-0.5885	0.0601	0.3042	-0.042	-0.0766	0.3861	-0.0789	0.3466	-40.6221	40.8001	-173.8582
25	2.7142	1.3957	0.3686	1.0883	0.0592	-0.2186	0.2589	0.4428	-0.206	0.5642	-0.2993	-0.555	-0.275	0.4676	0.037	0.5468	-0.1456	-0.0652	0.7118	0.0634	0.5582	-32.2204	44.4449	-192.0644
26	1.9003	-0.4265	1.5262	0.4306	-1.6429	2.6769	0.2411	-0.605	-0.5597	-0.1653	0.276	0.0075	0.1324	0.0329	-0.3928	0.4046	-0.0546	-0.1428	0.3708	0.124	0.5383	-46.8291	28.5759	-166.2665
27	6.2253	1.9136	3.037	3.9727	-0.0051	0.9948	-0.761	0.8772	0.0862	0.2523	0.8799	-0.3538	-0.1924	0.3379	-0.0444	1.4602	-0.0958	-0.4611	1.4913	0.4447	1.3626	-70.5293	11.4959	-171.1925
28	2.5231	-4.1119	-0.0873	-0.2007	-0.7132	2.7894	1.2604	-0.5838	-0.7654	0.1054	-0.0105	-0.3751	0.7838	0.6917	-0.5402	0.4055	0.0523	-0.2575	0.2503	0.2143	0.2567	-54.8487	22.816	-167.3
29	8.2635	-0.7965	2.2115	0.2475	-0.7409	2.6421	0.6624	-0.1894	-1.3965	-0.5772	0.2246	0.4764	0.456	-0.0047	-0.863	0.568	0.0057	-0.2736	0.3446	0.0699	0.6767	-55.7162	21.3301	-171.8281
30	3.1092	1.5965	0.2619	0.319	2.8115	0.6437	0.7784	-0.0961	-1.7917	0.2613	0.0357	-0.7829	1.0113	0.1798	-0.7545	0.9883	-0.0225	-0.4079	0.4805	0.1255	1.058	-50.5791	13.6168	-167.9748
31	-0.4242	1.3634	1.4878	0.9814	1.9712	2.6727	-0.0926	-0.3915	-0.1355	-0.6635	0.0641	-0.0138	-0.8492	-0.0587	-0.0223	0.5805	-0.0949	-0.087	0.4069	0.0669	0.688	-50.6676	52.882	-187.2308
32	1.5302	0.6028	-1.5845	1.45	-3.3583	2.6052	0.1857	0.1723	0.6156	0.3895	0.0271	0.8568	-0.5238	-0.4664	-0.1157	0.6132	-0.061	-0.0822	0.5607	0.0603	0.5853	-60.0985	42.9339	-193.9231
33	4.2514	-2.0772	1.5138	0.745	0.0644	1.0507	-0.0254	0.4848	0.3698	-0.1767	-0.1024	-0.1168	-0.1535	0.2707	0.1083	0.4056	-0.1356	-0.034	0.5076	0.0574	0.4106	-43.5218	45.461	-194.208
34	2.8515	0.6254	0.4551	0.2053	-0.4362	0.2144	-0.1959	1.2115	0.0411	-0.4116	0.0047	0.1205	-0.0423	0.0515	0.1108	0.558	-0.1472	-0.1058	0.7857	0.0622	0.531	-49.0475	42.4741	-199.7869
35	4.4552	1.5905	1.9632	2.8755	1.2958	2.4696	0.2743	0.3089	-1.0235	-0.113	0.1679	-0.991	0.455	0.1899	-0.3767	0.4343	-0.0381	-0.0489	0.4252	-0.0027	0.4182	-54.5343	36.822	-192.3799
36	4.0527	2.4473	0.9366	2.5964	-0.3115	2.3447	0.3097	-0.8657	0.8796	0.1796	-0.4548	0.6382	-0.437	-0.0307	0.0976	0.3915	-0.0553	-0.0597	0.4136	-0.002	0.5329	-46.5294	47.7901	-187.6881
37	3.9705	-0.7554	0.6154	0.1247	0.1327	-0.6097	0.4323	-1.3281	-0.9259	0.0377	-0.3312	-0.073	0.1478	-0.1695	-0.1094	0.4883	-0.3083	-0.2083	0.8424	0.3747	0.5942	-66.1306	21.7587	-168.3299
38	3.6182	0.5662	2.9249	2.2013	0.1581	1.842	0.4229	-0.7793	-0.1449	0.1963	-0.39	-0.1764	-0.206	-0.1715	-0.0484	0.4337	-0.1307	-0.0411	0.5018	-0.0059	0.4021	-68.55	28.913	-172.9278
39	-0.2454	-2.6524	-0.4874	2.1414	-0.963	2.3675	0.2865	-1.3251	-0.6268	0.6694	-0.0573	0.2496	-1.0803	-0.1189	-0.1831	0.6237	-0.4469	-0.1112	1.2379	0.3037	0.4905	-70.5787	24.5241	-160.1013
40	2.5905	-1.7367	1.068	0.4269	-1.0227	5.5732	-0.3269	-0.4407	-1.6207	-0.0277	-0.4913	0.0043	-0.9015	-1.2701	0.4402	0.259	-0.2391	-0.0091	0.5568	0.3946	0.7368	-77.7165	21.7707	-169.3687

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain H and resid 1:13	H	1 - 13
2	X-RAY DIFFRACTION	2	chain H and resid 14:29	H	14 - 29
3	X-RAY DIFFRACTION	3	chain H and resid 30:62	H	30 - 62
4	X-RAY DIFFRACTION	4	chain H and resid 63:83	H	63 - 83
5	X-RAY DIFFRACTION	5	chain H and resid 84:98	H	84 - 98
6	X-RAY DIFFRACTION	6	chain H and resid 99:107	H	99 - 107
7	X-RAY DIFFRACTION	7	chain H and resid 108:129	H	108 - 129
8	X-RAY DIFFRACTION	8	chain H and resid 130:165	H	130 - 165
9	X-RAY DIFFRACTION	9	chain H and resid 166:212	H	166 - 212
10	X-RAY DIFFRACTION	10	chain H and resid 213:228	H	213 - 228
11	X-RAY DIFFRACTION	11	chain L and resid 1:15	L	1 - 15
12	X-RAY DIFFRACTION	12	chain L and resid 16:29	L	16 - 29
13	X-RAY DIFFRACTION	13	chain L and resid 30:47	L	30 - 47
14	X-RAY DIFFRACTION	14	chain L and resid 48:89	L	48 - 89
15	X-RAY DIFFRACTION	15	chain L and resid 90:105	L	90 - 105
16	X-RAY DIFFRACTION	16	chain L and resid 106:124	L	106 - 124
17	X-RAY DIFFRACTION	17	chain L and resid 125:149	L	125 - 149
18	X-RAY DIFFRACTION	18	chain L and resid 150:162	L	150 - 162
19	X-RAY DIFFRACTION	19	chain L and resid 163:184	L	163 - 184
20	X-RAY DIFFRACTION	20	chain L and resid 185:211	L	185 - 211
21	X-RAY DIFFRACTION	21	chain M and resid 1:22	M	1 - 22
22	X-RAY DIFFRACTION	22	chain M and resid 23:41	M	23 - 41
23	X-RAY DIFFRACTION	23	chain M and resid 42:83	M	42 - 83
24	X-RAY DIFFRACTION	24	chain M and resid 84:93	M	84 - 93
25	X-RAY DIFFRACTION	25	chain M and resid 94:102	M	94 - 102
26	X-RAY DIFFRACTION	26	chain M and resid 103:126	M	103 - 126
27	X-RAY DIFFRACTION	27	chain M and resid 127:132	M	127 - 132
28	X-RAY DIFFRACTION	28	chain M and resid 133:152	M	133 - 152
29	X-RAY DIFFRACTION	29	chain M and resid 153:196	M	153 - 196
30	X-RAY DIFFRACTION	30	chain M and resid 197:227	M	197 - 227
31	X-RAY DIFFRACTION	31	chain N and resid 1:8	N	1 - 8
32	X-RAY DIFFRACTION	32	chain N and resid 9:25	N	9 - 25
33	X-RAY DIFFRACTION	33	chain N and resid 26:50	N	26 - 50
34	X-RAY DIFFRACTION	34	chain N and resid 51:74	N	51 - 74
35	X-RAY DIFFRACTION	35	chain N and resid 75:89	N	75 - 89
36	X-RAY DIFFRACTION	36	chain N and resid 90:105	N	90 - 105
37	X-RAY DIFFRACTION	37	chain N and resid 106:133	N	106 - 133
38	X-RAY DIFFRACTION	38	chain N and resid 134:172	N	134 - 172
39	X-RAY DIFFRACTION	39	chain N and resid 173:197	N	173 - 197
40	X-RAY DIFFRACTION	40	chain N and resid 198:210	N	198 - 210

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