PDB-4f33: Crystal Structure of therapeutic antibody MORAb-009

ID or keywords:

Entry

Database: PDB / ID: 4f33

Title

Crystal Structure of therapeutic antibody MORAb-009

Components

MORAb-009 FAB heavy chain
MORAb-009 FAB light chain

Keywords

IMMUNE SYSTEM / IgG / Antigen binding / Mesothelin

Function / homology

Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta

Function and homology information

Biological species

Mus musculus (house mouse)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.749 Å

Authors

Xia, D. / Ma, J. / Tang, W.K. / Esser, L.

Citation

Journal: J.Biol.Chem. / Year: 2012
Title: Recognition of mesothelin by the therapeutic antibody MORAb-009: structural and mechanistic insights.
Authors: Ma, J. / Tang, W.K. / Esser, L. / Pastan, I. / Xia, D.

History

Deposition	May 8, 2012	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 11, 2012	Provider: repository / Type: Initial release
Revision 1.1	Sep 25, 2013	Group: Source and taxonomy
Revision 1.2	Mar 26, 2014	Group: Database references
Revision 2.0	Dec 25, 2019	Group: Derived calculations / Polymer sequence Category: entity_poly / pdbx_struct_mod_residue / struct_conn Item: _entity_poly.pdbx_seq_one_letter_code_can / _pdbx_struct_mod_residue.parent_comp_id / _struct_conn.pdbx_leaving_atom_flag
Revision 2.1	Apr 3, 2024	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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Validation report

Summary document	4f33_validation.pdf.gz	489.8 KB	Display	wwPDB validaton report
Full document	4f33_full_validation.pdf.gz	502.8 KB	Display
Data in XML	4f33_validation.xml.gz	71.5 KB	Display
Data in CIF	4f33_validation.cif.gz	101.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/f3/4f33 ftp://data.pdbj.org/pub/pdb/validation_reports/f3/4f33	HTTPS FTP

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Related structure data

Related structure data	4f3fC C: citing same article (ref.)
Similar structure data	6mfj-2 5i1a-1 5t6p-2 6tcn-1 5i1h-d 5nyx-1 5vr9-2 6tcm-d 4dn3-d 1uwe-2 5i76-1 6df1-d 6z3k-9 4r7d-1 3p0v-2 3kyk-d 4ygv-2 5vsh-2 5k8a-1 6ayn-1 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 - HomologyF&H Search

Related structure data

4f3fC

C: citing same article (ref.)

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

A: MORAb-009 FAB light chain

B: MORAb-009 FAB heavy chain

C: MORAb-009 FAB light chain

D: MORAb-009 FAB heavy chain

E: MORAb-009 FAB light chain

F: MORAb-009 FAB heavy chain

G: MORAb-009 FAB light chain

H: MORAb-009 FAB heavy chain

hetero molecules

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

1

A: MORAb-009 FAB light chain

B: MORAb-009 FAB heavy chain

hetero molecules

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

2

C: MORAb-009 FAB light chain

D: MORAb-009 FAB heavy chain

hetero molecules

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

3

E: MORAb-009 FAB light chain

F: MORAb-009 FAB heavy chain

hetero molecules

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

4

G: MORAb-009 FAB light chain

H: MORAb-009 FAB heavy chain

hetero molecules

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

Unit cell

Length a, b, c (Å)	141.311, 141.311, 281.528
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	92
Space group name H-M	P4₁2₁2

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1
3	1
4	1
1	2
2	2
3	2
4	2

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Selection details
1	1	1	chain 'A' and (resseq 2:213 ) and not (element H...
2	1	1	chain 'C' and (resseq 2:213 ) and not (element H...
3	1	1	chain 'E' and (resseq 2:213 ) and not (element H...
4	1	1	chain 'G' and (resseq 2:213 ) and not (element H...
1	1	2	chain 'B' and (resseq 3:219 ) and not (element H)...
2	1	2	chain 'D' and (resseq 3:219 ) and not (element H)...
3	1	2	chain 'F' and (resseq 3:219 ) and not (element H)...
4	1	2	chain 'H' and (resseq 3:219 ) and not (element H)...

NCS ensembles :

ID
1
2

#1: Antibody	MORAb-009 FAB light chain Mass: 23243.682 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Production host: Escherichia coli (E. coli)
#2: Antibody	MORAb-009 FAB heavy chain Mass: 24422.314 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Production host: Escherichia coli (E. coli)
#3: Chemical	ChemComp-PG4 / TETRAETHYLENE GLYCOL Mass: 194.226 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C₈H₁₈O₅ / Comment: precipitant*YM
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1045 / 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: 3.69 Å³/Da / Density % sol: 66.63 %
Crystal grow	Temperature: 294 K / Method: vapor diffusion / pH: 5 Details: 26% Polyethylene glycol 400, 10% 2-propanol, 100 mM Sodium Citrate pH 5.0, VAPOR DIFFUSION, temperature 294K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
Detector	Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jan 1, 2010 / Details: Mirrors
Radiation	Monochromator: Si / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.749→50 Å / Num. all: 285129 / % possible obs: 92 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 5.5 % / R_sym value: 0.092 / Net I/σ(I): 15.9
Reflection shell	Resolution: 1.749→1.81 Å / Redundancy: 2.1 % / Mean I/σ(I) obs: 1.4 / Num. unique all: 19908 / R_sym value: 0.407 / % possible all: 70.7

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Processing

Software

Name	Version	Classification
HKL-2000		data collection
BALBES		phasing
PHENIX	(phenix.refine: dev_965)	refinement
DENZO		data reduction
SCALEPACK		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: Selected by BALBES automatically

Resolution: 1.749→38.818 Å / SU ML: 0.25 / σ(F): 0.21 / Phase error: 24.88 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2341	2500	0.95 %	Random
R_work	0.2081	-	-	-
obs	0.2083	262300	92 %	-

Solvent computation

Shrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 60.466 Å² / k_sol: 0.37 e/Å³

Displacement parameters

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-11.6681 Å²	-0 Å²	-0 Å²
2-	-	-11.6681 Å²	-0 Å²
3-	-	-	-15.4065 Å²

Refinement step

Cycle: LAST / Resolution: 1.749→38.818 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13000	0	130	1045	14175

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.01	13484
X-RAY DIFFRACTION	f_angle_d	1.237	18251
X-RAY DIFFRACTION	f_dihedral_angle_d	13.703	4881
X-RAY DIFFRACTION	f_chiral_restr	0.078	2023
X-RAY DIFFRACTION	f_plane_restr	0.006	2303

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Type	Rms dev position (Å)
1	1	A	1377	X-RAY DIFFRACTION	POSITIONAL
1	2	C	1377	X-RAY DIFFRACTION	POSITIONAL	0.058
1	3	E	1377	X-RAY DIFFRACTION	POSITIONAL	0.103
1	4	G	1377	X-RAY DIFFRACTION	POSITIONAL	0.124
2	1	B	1454	X-RAY DIFFRACTION	POSITIONAL
2	2	D	1454	X-RAY DIFFRACTION	POSITIONAL	0.062
2	3	F	1454	X-RAY DIFFRACTION	POSITIONAL	0.077
2	4	H	1454	X-RAY DIFFRACTION	POSITIONAL	0.112

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 (%)
1.749-1.7823	0.347	98	0.3757	10129	X-RAY DIFFRACTION	66
1.7823-1.8186	0.3495	114	0.3629	11889	X-RAY DIFFRACTION	77
1.8186-1.8582	0.3339	125	0.3434	13078	X-RAY DIFFRACTION	84
1.8582-1.9014	0.3479	135	0.323	13922	X-RAY DIFFRACTION	90
1.9014-1.949	0.3425	137	0.2983	14262	X-RAY DIFFRACTION	92
1.949-2.0017	0.2918	138	0.2805	14438	X-RAY DIFFRACTION	93
2.0017-2.0605	0.328	141	0.2542	14642	X-RAY DIFFRACTION	94
2.0605-2.1271	0.2719	143	0.2431	14778	X-RAY DIFFRACTION	95
2.1271-2.2031	0.2434	143	0.2191	14845	X-RAY DIFFRACTION	95
2.2031-2.2913	0.2795	142	0.2076	14858	X-RAY DIFFRACTION	95
2.2913-2.3955	0.2396	144	0.2033	14941	X-RAY DIFFRACTION	96
2.3955-2.5218	0.2622	144	0.1985	15012	X-RAY DIFFRACTION	96
2.5218-2.6798	0.222	145	0.1974	15056	X-RAY DIFFRACTION	96
2.6798-2.8866	0.2656	147	0.1904	15177	X-RAY DIFFRACTION	97
2.8866-3.177	0.2001	147	0.1845	15357	X-RAY DIFFRACTION	97
3.177-3.6364	0.2112	149	0.181	15553	X-RAY DIFFRACTION	98
3.6364-4.5803	0.1717	153	0.168	15754	X-RAY DIFFRACTION	99
4.5803-38.8278	0.2013	155	0.1824	16109	X-RAY DIFFRACTION	97

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	1.7909	-0.0658	0.2234	3.3959	-0.2024	1.9199	0.0169	-0.0098	0.0163	0.1401	0.0096	-0.0556	-0.0313	-0.0438	-0.028	0.3165	-0.0267	0.005	0.2675	0.0201	0.2861	110.7719	52.2761	36.801
2	0.5666	-0.112	-0.5789	0.6179	-0.8258	3.5292	0.0322	0.0006	0.0273	-0.1864	-0.1857	-0.1285	0.2622	0.6958	0.1498	0.3716	0.0183	-0.0074	0.4258	0.0456	0.3382	132.6452	46.1031	10.7461
3	1.4993	0.1283	-1.431	2.6921	-2.6694	6.0119	0.1092	0.2279	0.1072	-0.3251	-0.1687	-0.0662	0.4922	0.5172	0.1004	0.3534	0.0305	-0.0316	0.447	0.0025	0.2958	134.8704	44.4212	8.0054
4	9.1336	3.3787	-2.5536	4.3723	-1.8389	2.8439	-0.0068	0.442	-0.0013	-0.3375	0.1636	0.1839	-0.2775	-0.1802	-0.1702	0.4015	-0.0031	-0.0159	0.342	0.0372	0.259	108.4396	70.8467	16.513
5	4.1098	-0.7052	0.341	5.2404	0.0964	4.674	0.0132	-0.115	0.1018	-0.0739	0.0186	0.46	-0.377	-0.4059	-0.0322	0.2823	0.0131	0.0194	0.2573	0.0201	0.2755	104.7284	71.3626	28.6397
6	4.6678	1.1063	-1.1333	5.4271	-0.9593	2.5104	0.0937	-0.3245	-0.0511	0.0586	-0.0575	0.3025	-0.1252	-0.1969	-0.0638	0.3159	0.0032	-0.0109	0.2834	0.0091	0.2409	106.7015	68.0007	25.5842
7	2.0563	-0.2857	-0.0215	1.4444	1.1876	3.9428	0.0367	0.0614	-0.1932	-0.0462	0.0589	-0.0451	0.199	0.1981	-0.1063	0.3605	-0.0154	0.0043	0.2736	0.0391	0.3064	122.353	54.7416	6.013
8	2.4044	-0.4477	-0.1227	4.6111	0.3546	3.0811	0.1859	0.0872	-0.3419	-0.2191	-0.1588	0.1849	0.4098	-0.1518	-0.0103	0.4439	-0.0459	-0.0081	0.298	0.0045	0.3181	117.9358	51.056	0.1693
9	3.0505	0.4674	-0.7647	1.285	-0.2093	2.8096	0.0888	0.2127	-0.0234	-0.1903	0.0365	0.1185	-0.37	-0.1845	-0.1111	0.6731	-0.0357	-0.0087	0.3454	0.0104	0.3686	89.5931	30.6455	-29.7837
10	5.3554	-4.3167	5.0366	3.4632	-4.0439	4.7155	0.1037	0.1242	0.0383	-0.5017	-0.0771	-0.1287	0.0043	0.2283	-0.1148	0.5602	-0.0782	0.0245	0.4481	-0.0255	0.3642	101.7571	18.749	-18.9354
11	2.5308	1.1873	-2.3536	2.0961	-0.1507	4.2841	0.0446	0.0285	0.1185	0.0248	0.0183	0.0551	-0.1005	-0.0745	-0.0381	0.3647	-0.0006	0.0075	0.3211	-0.0076	0.3354	94.2335	8.8946	0.4345
12	1.5296	-1.9397	1.6139	3.5942	-4.1609	5.6253	0.0951	0.1709	-0.2471	-0.2087	-0.0675	0.1177	0.0936	-0.0295	0.1708	0.4356	-0.0476	0.02	0.3687	-0.0447	0.4013	90.6101	-0.0694	-2.2483
13	2.6198	-0.0883	-2.6129	2.0872	-1.3207	4.652	-0.0673	-0.1954	0.0091	0.1916	0.0428	0.1191	-0.0648	0.3213	0.0602	0.4102	-0.0631	-0.0089	0.3121	-0.0641	0.2953	96.5563	6.6201	-0.7366
14	3.4006	0.2353	-1.2983	4.8305	-1.1761	4.4128	0.2334	0.2103	0.5311	0.0366	-0.0153	0.076	-0.9817	-0.8751	-0.2111	0.6652	0.1269	-0.0161	0.5468	0.0315	0.3884	72.9193	35.848	-14.3456
15	2.2912	-2.9865	-1.088	9.493	4.4232	7.0673	0.3268	-0.0324	0.3291	-1.3544	-0.3153	0.943	-0.9707	-1.7425	-0.0336	0.7226	0.2246	-0.0857	0.888	0.1419	0.4959	67.9079	35.3249	-25.6338
16	2.5151	-0.2575	-0.658	1.9451	-0.5142	4.2587	0.1699	0.446	0.343	-0.2655	0.0253	0.3428	-0.7429	-0.8773	-0.1675	0.592	0.1295	-0.0135	0.6167	0.0276	0.4329	71.7454	33.5827	-15.7953
17	3.4224	0.2512	0.7626	2.8647	0.4445	3.5211	0.0479	0.1544	-0.0493	-0.1345	0.0797	-0.3192	-0.0095	0.1995	-0.1239	0.4094	-0.031	0.0567	0.3024	-0.0231	0.307	89.7116	18.958	2.0197
18	5.6136	-0.5492	0.8122	1.8844	0.167	2.7166	-0.0792	-0.2387	0.3119	0.0145	0.09	-0.3015	-0.2982	0.1659	-0.0077	0.4188	-0.0686	0.033	0.3297	-0.0297	0.3464	90.0146	23.7232	6.7463
19	3.8874	-0.867	-0.4986	1.661	0.5851	2.3356	0.0047	-0.2479	-0.0024	0.1145	0.0883	0.1576	-0.1888	-0.0938	-0.0859	0.3735	-0.0095	0.0528	0.3008	0.005	0.2713	77.2992	35.4912	50.9388
20	5.1385	-0.4586	6.6449	0.0333	-0.5608	8.6115	-0.2945	-0.6133	-0.1843	-0.1574	-0.0466	0.2024	-0.5165	-0.8736	0.2572	0.4719	0.0647	0.0214	0.5208	-0.0527	0.3954	60.1906	35.0805	40.2755
21	0.8384	-0.6391	-1.604	2.5132	1.9257	4.7002	-0.0324	0.024	0.0033	0.0238	0.0661	-0.1135	0.0598	-0.3764	-0.0024	0.4286	0.0325	-0.0092	0.6181	-0.0538	0.4234	58.9045	22.773	20.7137
22	7.6216	4.8956	2.924	3.5285	2.5481	5.6369	0.4226	-0.1658	-0.2372	0.3639	-0.5396	0.1778	0.3626	-1.1252	0.2289	0.5205	-0.0585	0.1	0.6744	-0.0978	0.5074	55.5725	13.7207	23.3668
23	2.0365	-0.7516	-1.55	3.1396	3.1204	5.5469	0.0499	0.3383	-0.1045	-0.1729	-0.1278	0.051	-0.1932	-0.8972	0.1119	0.3385	0.0221	0.0021	0.5416	-0.0031	0.2934	55.6423	22.6976	21.9419
24	2.4247	0.7147	0.8596	7.3631	3.3218	2.3657	-0.0683	0.1682	0.0913	-0.4033	-0.0051	0.2947	-0.0867	0.0681	0.0461	0.3453	-0.0491	0.0282	0.2505	0.0188	0.2476	92.648	24.4377	30.7616
25	2.1365	-0.1232	-0.4202	2.0492	-1.1418	2.1354	0.0048	-0.088	-0.1733	0.1117	-0.0805	-0.1271	0.0081	-0.0057	0.0947	0.3489	-0.0075	0.0348	0.2291	-0.0295	0.2707	93.8917	29.1747	43.0777
26	6.8229	4.6901	-3.1398	9.1981	-2.9431	5.0969	-0.0051	-0.0127	-0.243	0.1805	0.0016	-0.0407	0.1843	0.2725	0.0492	0.3069	0.0098	-0.0111	0.1852	-0.0158	0.272	98.6935	23.4615	39.8427
27	1.9649	0.1174	0.3245	7.4226	3.0912	3.2096	0.0163	-0.1092	0.0545	0.1393	0.0055	0.0979	-0.0045	0.1294	-0.0102	0.3068	-0.0324	0.0446	0.2597	0.0101	0.2676	89.8618	28.1221	40.9986
28	2.5302	-0.3204	1.298	1.9592	-1.2097	3.9883	0.0431	-0.0036	0.0421	-0.0459	0.057	0.2591	-0.1323	-0.4846	-0.1026	0.3393	0.0047	0.0373	0.3114	-0.0395	0.3023	71.5318	25.0838	20.0172
29	4.3885	-1.1969	0.855	3.4611	-0.7917	3.2579	-0.0763	0.4284	0.2807	0.0149	-0.0272	0.0861	-0.5259	-0.2404	0.1155	0.4594	0.055	-0.0016	0.3523	-0.0219	0.3107	71.8772	30.8779	14.1818
30	1.7322	-0.8586	0.4438	4.2461	-0.4164	1.3087	0.0047	0.1587	-0.043	-0.5904	0.0676	-0.0118	0.3548	-0.3073	-0.0667	0.5844	-0.1373	0.0217	0.4811	0.0252	0.3207	106.0344	64.0194	-43.6252
31	0.0658	-0.5211	-0.6368	4.7399	5.8978	7.3635	-0.1234	0.0369	0.1436	-0.5497	0.0818	-0.2251	-0.2654	-0.1272	-0.0186	0.4185	-0.0199	-0.0123	0.4872	0.0172	0.39	106.6699	81.1204	-32.9527
32	3.3717	-0.5367	1.7953	1.0666	-1.266	4.2128	0.1354	-0.0023	-0.0682	0.0503	0.0326	0.1044	0.1379	0.0316	-0.1264	0.4171	0.0093	0.0123	0.3333	-0.0224	0.352	119.2373	82.3038	-13.5787
33	4.399	4.2957	3.7429	4.6754	4.8339	6.2306	0.0167	0.3011	-0.2381	-0.1125	0.2949	-0.5995	0.0337	0.2841	-0.1312	0.3456	-0.0084	-0.0106	0.4695	0.0421	0.4309	128.289	85.6657	-16.308
34	1.9833	-0.7448	2.5263	3.0065	-1.0947	4.9082	0.0067	-0.116	-0.0066	0.2784	-0.0365	-0.1725	-0.1652	-0.1209	0.0828	0.2799	-0.025	0.0447	0.3346	0.011	0.2666	119.3066	85.5731	-14.7433
35	7.6828	1.3914	3.0375	2.2584	0.4073	1.7501	0.0766	-0.4856	-0.0277	0.1869	-0.1169	0.1186	0.4707	-0.1605	0.0325	0.5008	-0.0594	0.0692	0.3708	-0.0173	0.2967	117.6004	48.5777	-23.7935
36	3.4285	0.2809	-1.754	1.5669	-0.3559	2.1481	-0.2779	0.2701	-0.2337	-0.4938	0.1849	0.0396	0.335	0.0057	0.0713	0.6429	-0.0888	0.0389	0.4045	-0.0061	0.3301	112.6584	47.3648	-36.0834
37	1.6999	3.6313	-1.1128	8.1582	-3.1758	3.4162	-0.3306	0.5631	-0.287	-0.3537	0.3713	-0.4471	0.7614	0.0346	0.1703	0.5869	-0.0297	0.1003	0.4603	-0.0656	0.3666	118.4657	42.5851	-32.963
38	6.9608	0.5098	2.5335	1.9402	-0.2478	2.7684	-0.0257	0.3111	0.0085	-0.4263	0.1307	-0.0485	0.4483	0.1077	-0.0928	0.5757	-0.0813	0.066	0.3239	-0.0129	0.2847	113.7597	51.3851	-33.9879
39	2.5761	-1.075	-1.447	4.2686	1.9904	4.6963	-0.0156	-0.2085	0.3151	0.0943	0.2795	-0.3089	-0.1899	0.2444	-0.2132	0.3328	-0.0725	0.0521	0.3053	0.027	0.2977	119.5452	69.5564	-11.6757
40	2.1245	-1.332	-0.0511	4.4799	0.1271	2.7145	-0.0683	-0.0406	-0.0097	-0.0344	0.1081	0.2949	-0.0065	-0.0949	-0.0412	0.2754	-0.0074	-0.0092	0.3221	0.0202	0.2895	113.4515	70.0273	-11.8639
41	4.2919	-5.696	-5.3844	7.6846	7.2296	9.1617	-0.1399	0.0629	0.0488	0.564	0.0339	-0.0297	0.1801	-0.5133	0.1969	0.4054	0.0239	0.0085	0.321	-0.0027	0.3255	113.3861	66.3268	-3.3999

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 2:101 )	A	2 - 101
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 102:163 )	A	102 - 163
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 164:212 )	A	164 - 212
4	X-RAY DIFFRACTION	4	( CHAIN B AND RESID 2:25 )	B	2 - 25
5	X-RAY DIFFRACTION	5	( CHAIN B AND RESID 26:76 )	B	26 - 76
6	X-RAY DIFFRACTION	6	( CHAIN B AND RESID 77:112 )	B	77 - 112
7	X-RAY DIFFRACTION	7	( CHAIN B AND RESID 113:181 )	B	113 - 181
8	X-RAY DIFFRACTION	8	( CHAIN B AND RESID 182:220 )	B	182 - 220
9	X-RAY DIFFRACTION	9	( CHAIN C AND RESID 2:101 )	C	2 - 101
10	X-RAY DIFFRACTION	10	( CHAIN C AND RESID 102:113 )	C	102 - 113
11	X-RAY DIFFRACTION	11	( CHAIN C AND RESID 114:150 )	C	114 - 150
12	X-RAY DIFFRACTION	12	( CHAIN C AND RESID 151:163 )	C	151 - 163
13	X-RAY DIFFRACTION	13	( CHAIN C AND RESID 164:212 )	C	164 - 212
14	X-RAY DIFFRACTION	14	( CHAIN D AND RESID 2:43 )	D	2 - 43
15	X-RAY DIFFRACTION	15	( CHAIN D AND RESID 44:67 )	D	44 - 67
16	X-RAY DIFFRACTION	16	( CHAIN D AND RESID 68:125 )	D	68 - 125
17	X-RAY DIFFRACTION	17	( CHAIN D AND RESID 126:181 )	D	126 - 181
18	X-RAY DIFFRACTION	18	( CHAIN D AND RESID 182:220 )	D	182 - 220
19	X-RAY DIFFRACTION	19	( CHAIN E AND RESID 2:101 )	E	2 - 101
20	X-RAY DIFFRACTION	20	( CHAIN E AND RESID 102:113 )	E	102 - 113
21	X-RAY DIFFRACTION	21	( CHAIN E AND RESID 114:150 )	E	114 - 150
22	X-RAY DIFFRACTION	22	( CHAIN E AND RESID 151:163 )	E	151 - 163
23	X-RAY DIFFRACTION	23	( CHAIN E AND RESID 164:212 )	E	164 - 212
24	X-RAY DIFFRACTION	24	( CHAIN F AND RESID 2:25 )	F	2 - 25
25	X-RAY DIFFRACTION	25	( CHAIN F AND RESID 26:60 )	F	26 - 60
26	X-RAY DIFFRACTION	26	( CHAIN F AND RESID 61:83 )	F	61 - 83
27	X-RAY DIFFRACTION	27	( CHAIN F AND RESID 84:112 )	F	84 - 112
28	X-RAY DIFFRACTION	28	( CHAIN F AND RESID 113:181 )	F	113 - 181
29	X-RAY DIFFRACTION	29	( CHAIN F AND RESID 182:220 )	F	182 - 220
30	X-RAY DIFFRACTION	30	( CHAIN G AND RESID 2:101 )	G	2 - 101
31	X-RAY DIFFRACTION	31	( CHAIN G AND RESID 102:113 )	G	102 - 113
32	X-RAY DIFFRACTION	32	( CHAIN G AND RESID 114:150 )	G	114 - 150
33	X-RAY DIFFRACTION	33	( CHAIN G AND RESID 151:163 )	G	151 - 163
34	X-RAY DIFFRACTION	34	( CHAIN G AND RESID 164:212 )	G	164 - 212
35	X-RAY DIFFRACTION	35	( CHAIN H AND RESID 2:25 )	H	2 - 25
36	X-RAY DIFFRACTION	36	( CHAIN H AND RESID 26:60 )	H	26 - 60
37	X-RAY DIFFRACTION	37	( CHAIN H AND RESID 61:83 )	H	61 - 83
38	X-RAY DIFFRACTION	38	( CHAIN H AND RESID 84:112 )	H	84 - 112
39	X-RAY DIFFRACTION	39	( CHAIN H AND RESID 113:140 )	H	113 - 140
40	X-RAY DIFFRACTION	40	( CHAIN H AND RESID 141:209 )	H	141 - 209
41	X-RAY DIFFRACTION	41	( CHAIN H AND RESID 210:220 )	H	210 - 220

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