PDB-8rax: The crystal structure of DNA-bound human MutSbeta (MSH2_G674D/MSH...

ID or keywords:

Entry

Database: PDB / ID: 8rax

Title

The crystal structure of DNA-bound human MutSbeta (MSH2_G674D/MSH3) in the canonical mismatch bound conformation, nucleotide free

Components

DNA (5'-D(*TP*CP*AP*TP*CP*GP*AP*TP*CP*GP*CP*AP*GP*CP*TP*TP*CP*AP*GP*AP*TP*A)-3')
DNA (5'-D(P*AP*TP*CP*TP*GP*AP*AP*GP*CP*CP*GP*AP*TP*CP*GP*AP*TP*G)-3')
DNA mismatch repair protein Msh2
DNA mismatch repair protein Msh3

Keywords

DNA BINDING PROTEIN / DNA binding / DNA repair

Function / homology

Function and homology information

somatic recombination of immunoglobulin genes involved in immune response / MutSbeta complex / Defective Mismatch Repair Associated With MSH3 / MutSalpha complex / Defective Mismatch Repair Associated With MSH2 / Defective Mismatch Repair Associated With MSH6 / positive regulation of helicase activity / guanine/thymine mispair binding / somatic recombination of immunoglobulin gene segments / B cell mediated immunity ...
Similarity search - Function

Biological species

Homo sapiens (human)
synthetic construct (others)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.162 Å

Authors

Thomsen, M. / Costanzi, E.

Funding support

United States, 1items

Citation

Journal: To Be Published
Title: The crystal structure of DNA-bound human MutSbeta (MSH2/MSH3) in the canonical mismatch bound conformation with ADP bound in MSH2 and MSH3
Authors: Thomsen, M. / Neudegger, T. / Thieulin-Pardo, G. / Blaesse, M. / Costanzi, E. / Steinbacher, S. / Plotnikov, N.V. / Dominguez, C. / Iyer, R.R. / Wilkinson, H.A. / Monteagudo, E. / Haque, T.S. ...

History

Deposition	Dec 1, 2023	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jun 11, 2025	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8rax.cif.gz	745.1 KB	Display	PDBx/mmCIF format
PDB format	pdb8rax.ent.gz	603.8 KB	Display	PDB format
PDBx/mmJSON format	8rax.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/ra/8rax ftp://data.pdbj.org/pub/pdb/validation_reports/ra/8rax	HTTPS FTP

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Related structure data

Related structure data	8rauC 8ravC 8rawC 8razC 8rb0C 8rb1C 8rb2C C: citing same article (ref.)
Similar structure data	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	#67 - Jul 2005 TATA-Binding Protein similarity (1) #168 - Dec 2013 DNA Helicase similarity (1) #255 - Mar 2021 Cisplatin and DNA similarity (1) #91 - Jul 2007 Thymine Dimers similarity (1) #122 - Feb 2010 Enhanceosome similarity (2) #172 - Apr 2014 RecA and Rad51 similarity (1) #181 - Jan 2015 Cascade and CRISPR similarity (1) #253 - Jan 2021 Expressome similarity (1) #150 - Jun 2012 Sliding Clamps similarity (3) #112 - Apr 2009 Oct and Sox Transcription Factors similarity (1) #135 - Mar 2011 Integrase similarity (1) #180 - Dec 2014 TAL Effectors similarity (1) #227 - Nov 2018 Telomerase similarity (1) #48 - Dec 2003 Catabolite Activator Protein similarity (1) #84 - Dec 2006 Transposase similarity (1) #139 - Jul 2011 DNA Methyltransferase similarity (1) #155 - Nov 2012 Vitamin D Receptor similarity (1) #3 - Mar 2000 DNA Polymerase similarity (1) #40 - Apr 2003 RNA Polymerase similarity (1) #73 - Jan 2006 Topoisomerase similarity (1) #87 - Mar 2007 Zinc Fingers similarity (1) #31 - Jul 2002 p53 Tumor Suppressor similarity (2) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (2) #119 - Nov 2009 Designed DNA Crystal similarity (1) #125 - May 2010 Parvoviruses similarity (1) #131 - Nov 2010 Inteins similarity (1) #160 - Apr 2013 Actinomycin similarity (1) #190 - Oct 2015 Two-component Systems similarity (1) #23 - Nov 2001 DNA similarity (1) #257 - May 2021 Fetal Hemoglobin similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1) #33 - Sep 2002 HIV Reverse Transcriptase similarity (1) #39 - Mar 2003 lac Repressor similarity (1) #45 - Sep 2003 Estrogen Receptor similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #7 - Jul 2000 Nucleosome similarity (1) #8 - Aug 2000 Restriction Enzymes similarity (1) #92 - Aug 2007 Anabolic Steroids similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1) #213 - Sep 2017 Sirtuins similarity (1) #221 - May 2018 Human Papillomavirus and Vaccines similarity (1) #234 - Jun 2019 MDM2 and Cancer similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

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Deposited unit

A: DNA mismatch repair protein Msh2

B: DNA mismatch repair protein Msh3

C: DNA (5'-D(P*AP*TP*CP*TP*GP*AP*AP*GP*CP*CP*GP*AP*TP*CP*GP*AP*TP*G)-3')

D: DNA (5'-D(*TP*CP*AP*TP*CP*GP*AP*TP*CP*GP*CP*AP*GP*CP*TP*TP*CP*AP*GP*AP*TP*A)-3')

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

1

Idetical with deposited unit
defined by author
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	66.899, 90.998, 96.162
Angle α, β, γ (deg.)	67.68, 86.73, 73.86
Int Tables number	1
Space group name H-M	P1

#1: Protein	DNA mismatch repair protein Msh2 Mass: 104919.906 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: MSH2 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: P43246
#2: Protein	DNA mismatch repair protein Msh3 Mass: 104289.664 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: MSH3 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: P20585
#3: DNA chain	DNA (5'-D(PAPTPCPTPGPAPAPGPCPCPGPAPTPCPGPAPTPG)-3') Mass: 7345.741 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#4: DNA chain	DNA (5'-D(TPCPAPTPCPGPAPTPCPGPCPAPGPCPTPTPCPAPGPAPTPA)-3') Mass: 7369.766 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 35 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	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: 2.32 Å³/Da / Density % sol: 46.97 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion Details: 0.1 M MES pH 6.5 -7.5, 0.2 M Ammonium Acetate, 20 - 25 % PEG 3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 0.999841 Å
Detector	Type: DECTRIS EIGER2 S 16M / Detector: PIXEL / Date: Jan 29, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.999841 Å / Relative weight: 1
Reflection	Resolution: 3.162→75.93 Å / Num. obs: 31196 / % possible obs: 90.7 % / Redundancy: 2.1 % / CC_1/2: 0.997 / Net I/σ(I): 9.7
Reflection shell	Resolution: 3.162→3.217 Å / Num. unique obs: 1540 / CC_1/2: 0.786

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0267	refinement
autoPROC		data reduction
autoPROC		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 3.162→75.93 Å / Cor.coef. F_o:F_c: 0.913 / Cor.coef. F_o:F_c free: 0.896 / SU B: 86.631 / SU ML: 0.637 / Cross valid method: THROUGHOUT / ESU R Free: 0.647 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.29247	1521	4.9 %	RANDOM
R_work	0.25734	-	-	-
obs	0.25901	29667	90.66 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 118.233 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	2.06 Å²	-3.11 Å²	2.63 Å²
2-	-	0.42 Å²	0.07 Å²
3-	-	-	-3.38 Å²

Refinement step

Cycle: 1 / Resolution: 3.162→75.93 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13116	816	0	35	13967

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.003	0.013	13440
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.017	12408
X-RAY DIFFRACTION	r_angle_refined_deg	1.26	1.6	18381
X-RAY DIFFRACTION	r_angle_other_deg	1.081	1.624	28314
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.688	5	1626
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	33.517	22.985	546
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.741	15	2016
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	10.928	15	54
X-RAY DIFFRACTION	r_chiral_restr	0.041	0.2	1879
X-RAY DIFFRACTION	r_gen_planes_refined	0.003	0.02	14699
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	2973
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	0.566	5.608	6567
X-RAY DIFFRACTION	r_mcbond_other	0.566	5.607	6566
X-RAY DIFFRACTION	r_mcangle_it	1.037	8.409	8172
X-RAY DIFFRACTION	r_mcangle_other	1.037	8.41	8173
X-RAY DIFFRACTION	r_scbond_it	0.339	5.568	6873
X-RAY DIFFRACTION	r_scbond_other	0.339	5.569	6874
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	0.655	8.35	10210
X-RAY DIFFRACTION	r_long_range_B_refined	1.955	65.06	14257
X-RAY DIFFRACTION	r_long_range_B_other	1.951	65.052	14255
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 3.162→3.244 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.388	109	-
R_work	0.349	2193	-
obs	-	-	90.13 %

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	7.2621	-0.9537	2.3147	6.022	1.5764	8.0694	-0.1058	-0.5728	0.1514	0.5409	0.4901	-0.5222	0.4036	0.3474	-0.3842	0.4791	0.1583	0.0567	0.1246	-0.0286	0.1041	1.027	-2.847	27.739
2	0.6222	-0.8495	1.8194	5.5025	-0.3945	10.8076	0.2562	-0.004	-0.2159	-0.4857	-0.4845	-0.0516	0.615	0.4669	0.2284	0.7151	0.1085	0.0749	0.1894	0.2336	0.3845	10.694	-19.706	2.787
3	147.6333	101.3271	18.9803	69.5566	13.0276	2.4402	-0.11	0.5893	-1.7141	-0.038	0.3286	-1.1593	-0.0155	0.0706	-0.2187	0.6276	0.0189	0.2161	0.7767	0.259	0.7858	24.855	-13.433	0.911
4	3.7502	0.3507	-0.2329	6.8537	-3.1691	9.0897	0.0202	-0.164	-0.4364	-0.4123	-0.2885	-0.47	1.1288	0.444	0.2683	0.6381	0.1898	0.1119	0.2234	0.1632	0.1594	11.409	-25.642	10.562
5	13.76	3.374	0.8898	1.9962	2.1228	3.3359	-0.4424	0.3484	0.2024	-0.0918	0.0275	0.4012	0.3026	-0.3059	0.4148	1.1454	-0.198	-0.0517	0.4111	0.3103	0.379	-7.255	-18.324	-9.048
6	2.2317	-1.2541	4.2993	1.6252	-0.6774	12.4469	0.0467	0.1035	0.3347	0.0321	-0.3021	-0.1557	0.5557	-0.9715	0.2555	0.8029	-0.3513	0.211	0.8194	0.182	0.649	-20.742	-29.533	6.957
7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.5135	0	0	0.5135	0	0.5135	0	0	0
8	6.6992	1.9204	-6.0487	2.9869	3.2625	15.7322	1.0051	0.7681	0.3146	-0.1472	-0.5254	-0.012	-1.6436	-2.2847	-0.4796	1.401	0.07	0.4172	1.5294	0.0682	0.5973	-32.535	-29.003	40.24
9	0.827	-0.728	1.7394	1.0063	-1.0428	4.3863	0.0055	0.0245	0.0445	0.07	-0.3516	0.0825	-0.0112	-0.5753	0.3461	0.7244	0.1101	0.0503	0.9126	-0.0955	0.8321	-37.996	-13.662	50.078
10	16.5264	10.4167	-14.0307	6.5761	-8.8408	11.9266	-0.4784	0.3338	-0.1873	-0.3514	0.241	-0.0495	0.4836	-0.2418	0.2375	0.8769	0.2044	-0.0139	0.938	-0.0859	0.9449	-37.857	-3.864	50.74
11	0.1637	0.1007	-0.0955	20.9933	1.6053	0.1915	-0.007	-0.2502	0.2092	0.2588	-0.0393	1.7883	0.0259	0.1792	0.0463	0.6144	-0.039	-0.0656	0.8283	0.0693	0.8426	-39.078	-5.318	61.782
12	1.3757	-1.4782	-2.4939	2.2642	0.2694	16.6784	-0.2351	-0.5226	0.1081	-0.2008	0.2021	-0.1859	1.3523	1.3456	0.033	0.8714	0.1438	0.0485	0.9361	0.02	0.8018	-32.135	-11.774	59.469
13	5.689	-1.3942	-6.0093	0.433	1.4941	6.4502	0.3957	0.4207	0.743	-0.0001	0.2318	-0.3067	0.0048	-0.3842	-0.6275	2.0112	0.0925	0.484	1.4091	-0.2854	0.7356	-26.617	-21.734	45.514
14	4.5229	3.2705	-5.5526	3.7719	-4.8556	9.0614	-0.8066	1.3202	0.4888	-0.7789	0.9336	0.5486	1.4404	-1.9579	-0.127	1.1936	-0.5057	-0.0166	0.7843	0.1497	0.3347	-6.06	-17.62	-16.073
15	8.2561	2.7002	0.5586	2.3303	1.222	3.1681	0.1181	-0.4671	0.4759	0.0506	-0.1353	-0.5349	0.1815	0.0292	0.0172	0.5517	-0.0088	0.0206	0.327	0.0769	0.4898	14.061	-7.866	-16.418
16	13.0079	3.1696	-2.1582	4.5538	-0.4451	5.6769	-0.2758	0.7975	0.3894	-0.4682	0.5228	-0.0536	0.706	-0.0069	-0.2469	0.8861	0.0923	0.0777	0.2308	0.089	0.069	14.652	-4.693	-28.874
17	41.8895	0.8653	77.8451	0.0901	1.4925	144.86	0.4337	0.5907	-0.4416	-0.0439	0.234	-0.0592	0.8455	0.7468	-0.6677	0.8298	-0.1152	0.3345	0.6973	-0.074	1.0706	4.063	11.457	-35.066
18	2.631	1.2676	0.1999	1.1417	1.8603	6.6759	-0.0651	-0.0942	-0.1886	-0.274	-0.2835	0.1201	-0.5778	-0.3968	0.3486	0.8053	0.1625	-0.0805	0.6058	0.0456	0.6029	8.307	18.376	-35.062
19	8.3602	2.6662	-2.4105	4.912	-0.8479	5.7248	-0.1422	0.6418	-0.1264	-0.1235	-0.0374	-0.3461	0.527	0.0706	0.1795	0.6328	0.13	-0.0408	0.406	0.1606	0.4067	28.543	15.447	-52.569
20	3.8277	2.2048	-0.969	3.8191	0.1387	7.0864	-0.0595	-0.069	0.4933	0.066	0.0475	-0.0516	-0.1975	-0.2411	0.0119	0.517	0.0562	-0.006	0.439	0.1636	0.4256	25.977	23.699	-56.298
21	7.4801	2.1446	1.8474	1.9382	0.2338	5.2461	-0.2307	0.8174	-0.1794	-0.343	0.1874	0.3317	0.0946	-1.5307	0.0434	0.5608	0.1058	0.0493	0.8036	-0.0393	0.1704	-28.768	8.194	20.402
22	6.9945	1.3621	-1.1389	3.5897	-0.5982	0.3297	-0.0389	0.726	-0.4756	-0.0222	0.0928	0.4226	-0.0829	-0.3384	-0.0539	0.5673	0.1237	0.0306	0.5935	0.1093	0.1666	-23.782	11.201	25.124
23	0.3717	1.2179	0.6002	5.0488	-0.8478	10.1613	-0.049	-0.0568	0.1547	-0.0073	-0.3452	0.2917	-0.9065	0.0254	0.3942	0.7817	0.2014	0.1529	0.119	0.1117	0.252	-18.035	19.172	25.982
24	8.5244	-2.8842	20.97	1.0116	-7.0618	51.6651	-1.2959	-1.0675	0.5013	0.4367	0.1414	-0.2368	-2.9701	-2.8679	1.1545	1.2034	-0.0019	-0.1391	1.6084	0.0929	0.9181	-1.594	16.467	15.095
25	5.0889	1.9638	-1.2625	6.0739	-0.4934	8.7058	-0.013	1.2669	0.0635	-0.6268	0.7725	-0.3445	-0.8522	-0.5567	-0.7595	0.9586	0.2812	0.2327	0.4449	0.0593	0.1086	-9.591	24.883	-2.171
26	18.327	-9.8826	9.388	14.0401	6.9978	53.8585	-0.6139	0.3342	-1.2091	-0.9504	-0.8497	0.0576	1.2619	0.1288	1.4636	0.8133	0.1007	0.1251	0.3602	0.0441	0.8309	-7.605	8.258	5.501
27	2.7039	0.8346	0.0255	7.1418	0.2104	0.143	-0.0725	0.6946	0.2369	-0.0954	0.0034	0.9066	-0.1647	-0.2126	0.0691	0.6435	0.2	0.0468	0.5711	0.062	0.3611	-22.518	28.971	0.967
28	4.0859	5.9442	-2.781	17.0746	1.424	5.4526	0.4923	0.1971	0.0082	0.201	-0.2438	-0.4853	-0.6502	-0.466	-0.2486	0.5241	0.2348	0.0138	0.7564	0.094	0.7924	-16.83	44.616	7.353
29	7.4509	3.4881	-1.0003	3.2848	-4.6454	12.9903	-0.1679	0.4996	0.6063	-0.0014	0.1854	0.1363	-1.9148	-0.5165	-0.0175	1.3348	0.431	0.2209	0.2432	0.1912	0.181	-14.86	33.793	6.948
30	3.5408	0.5187	0.0913	5.2684	2.7371	9.3087	0.4946	-0.2018	0.241	-0.0871	0.1105	0.0337	-0.7154	0.9194	-0.6051	0.6376	-0.1389	0.2559	0.3107	-0.0064	0.1584	11.511	28.095	8.633
31	8.4213	2.3747	-1.7903	2.0776	-0.2665	3.7676	0.3918	-1.0261	0.5289	0.1862	-0.1075	0.1307	-0.9391	0.8184	-0.2843	0.9392	-0.1035	0.2055	0.2553	-0.0791	0.0695	0.518	34.528	30.152
32	9.1811	2.4984	-2.4815	9.9198	-5.4088	12.8536	-0.1142	-0.4893	-0.3991	-0.3089	0.2062	0.2677	0.2713	-0.3842	-0.0919	0.531	0.3002	0.1828	0.5568	0.0826	0.1476	-28.741	19.242	58.239
33	8.8559	3.752	-6.5518	1.8879	-1.8926	8.0004	-0.0296	0.3172	0.6361	-0.1454	0.3123	0.405	-0.8576	0.0855	-0.2827	0.9893	0.1175	0.3227	0.1932	0.19	0.2696	-10.169	32.098	30.134
34	6.9255	3.5835	-2.714	7.4491	5.1125	8.7595	0.6982	-1.3105	0.1405	0.3142	0.3696	-0.7424	-0.5057	1.9742	-1.0679	0.763	-0.4129	0.2008	1.3855	-0.2202	0.1832	23.799	27.282	1.406
35	4.8204	1.6597	1.2634	1.1253	1.5272	2.5025	-0.1988	-0.3634	-0.5301	0.0191	0.1584	-0.1231	0.2138	0.4457	0.0405	0.7212	-0.1016	0.177	0.7286	-0.0379	0.4768	27.045	26.304	-9.43
36	4.4932	-0.3313	0.1034	7.2667	4.5829	10.4241	0.2631	-0.007	-0.2542	-0.3284	-0.0516	0.4084	-0.4509	0.7669	-0.2115	0.74	-0.0416	0.2105	0.2762	0.0301	0.1742	14.681	22.563	-13.249
37	14.9039	-4.1346	2.6631	17.1231	-5.649	18.8337	0.1804	-0.2403	0.3612	0.098	-0.3042	0.0796	-1.2854	0.7091	0.1239	0.4975	-0.0748	0.193	0.3318	0.0499	0.3386	16.786	31.28	-18.836
38	12.9412	-6.907	-1.5976	10.3495	2.2148	4.681	0.2334	-0.2435	-0.9949	-0.8309	0.5084	-0.8945	-0.6727	2.6711	-0.7419	1.2011	-0.2471	0.38	1.6008	-0.3927	0.491	26.832	16.806	-19.45
39	1.1266	-0.2173	-0.5202	7.4867	-6.1706	5.6736	-0.0201	-0.1474	0.1676	0.1114	-0.3647	-0.4154	-0.2913	0.5041	0.3849	0.5714	0.0417	-0.0499	0.4741	0.0427	0.3646	26.452	8.675	-34.519
40	1.9163	1.195	-1.8509	3.2015	2.8366	9.0766	0.2718	-0.3757	-0.622	1.2334	-0.3835	-0.2002	1.1219	-0.1281	0.1117	1.1279	0.0531	0.2303	0.4664	0.4963	1.0945	-28.867	1.894	43.074
41	3.4012	2.47	-1.3354	3.2874	1.8481	6.2514	-0.043	-0.7549	-0.03	0.9408	-0.7368	0.444	1.6145	-0.5673	0.7797	1.3448	0.0755	0.1864	0.8505	0.1578	0.3541	-27.706	1.962	43.172

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	12 - 131
2	X-RAY DIFFRACTION	2	A	132 - 203
3	X-RAY DIFFRACTION	3	A	209 - 210
4	X-RAY DIFFRACTION	4	A	211 - 296
5	X-RAY DIFFRACTION	5	A	297 - 373
6	X-RAY DIFFRACTION	6	A	374 - 458
7	X-RAY DIFFRACTION	7	A	468 - 498
8	X-RAY DIFFRACTION	8	A	499 - 523
9	X-RAY DIFFRACTION	9	A	524 - 529
10	X-RAY DIFFRACTION	10	A	530 - 536
11	X-RAY DIFFRACTION	11	A	537 - 543
12	X-RAY DIFFRACTION	12	A	544 - 580
13	X-RAY DIFFRACTION	13	A	581 - 708
14	X-RAY DIFFRACTION	14	A	709 - 749
15	X-RAY DIFFRACTION	15	A	750 - 801
16	X-RAY DIFFRACTION	16	A	824 - 826
17	X-RAY DIFFRACTION	17	A	827 - 874
18	X-RAY DIFFRACTION	18	A	875 - 897
19	X-RAY DIFFRACTION	19	A	898 - 930
20	X-RAY DIFFRACTION	20	B	227 - 274
21	X-RAY DIFFRACTION	21	B	275 - 319
22	X-RAY DIFFRACTION	22	B	320 - 356
23	X-RAY DIFFRACTION	23	B	357 - 363
24	X-RAY DIFFRACTION	24	B	364 - 445
25	X-RAY DIFFRACTION	25	B	446 - 452
26	X-RAY DIFFRACTION	26	B	453 - 474
27	X-RAY DIFFRACTION	27	B	475 - 494
28	X-RAY DIFFRACTION	28	B	495 - 530
29	X-RAY DIFFRACTION	29	B	531 - 613
30	X-RAY DIFFRACTION	30	B	614 - 703
31	X-RAY DIFFRACTION	31	B	704 - 789
32	X-RAY DIFFRACTION	32	B	790 - 841
33	X-RAY DIFFRACTION	33	B	842 - 870
34	X-RAY DIFFRACTION	34	B	877 - 890
35	X-RAY DIFFRACTION	35	B	891 - 998
36	X-RAY DIFFRACTION	36	B	999 - 1006
37	X-RAY DIFFRACTION	37	B	1007 - 1071
38	X-RAY DIFFRACTION	38	B	1072 - 1116
39	X-RAY DIFFRACTION	39	C	6 - 23
40	X-RAY DIFFRACTION	40	D	26 - 47

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