PDB-8raw: The crystal structure of DNA-bound human MutSbeta (MSH2/MSH3_G901...

ID or keywords:

Entry

Database: PDB / ID: 8raw

Title

The crystal structure of DNA-bound human MutSbeta (MSH2/MSH3_G901D) in the canonical mismatch bound conformation with ADP bound in MSH2

Components

(DNA mismatch repair protein ...) x 2
DNA (5'-D(*TP*CP*AP*TP*CP*GP*AP*TP*CP*GP*CP*AP*GP*CP*TP*TP*CP*AP*GP*AP*T)-3')
DNA (5'-D(P*TP*CP*TP*GP*AP*AP*GP*CP*CP*GP*AP*TP*CP*GP*AP*TP*G)-3')

Keywords

DNA BINDING PROTEIN / DNA repair / DNA binding

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: 2.69 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

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ra/8raw ftp://data.pdbj.org/pub/pdb/validation_reports/ra/8raw	HTTPS FTP

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Related structure data

Related structure data	8rauC 8ravC 8raxC 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*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*T)-3')

hetero molecules

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)	66.376, 90.396, 96.323
Angle α, β, γ (deg.)	67.90, 86.99, 74.66
Int Tables number	1
Space group name H-M	P1

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DNA mismatch repair protein ... , 2 types, 2 molecules AB

#1: Protein	DNA mismatch repair protein Msh2 / hMSH2 / MutS protein homolog 2 Mass: 104861.875 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: 104347.695 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

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DNA chain , 2 types, 2 molecules CD

#3: DNA chain	DNA (5'-D(PTPCPTPGPAPAPGPCPCPGPAPTPCPGPAPTPG)-3') Mass: 7345.741 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source*: (synth.) synthetic construct (others)
#4: DNA chain	DNA (5'-D(TPCPAPTPCPGPAPTPCPGPCPAPGPCPTPTPCPAPGPAPT)-3') Mass: 7369.766 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source*: (synth.) synthetic construct (others)

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Non-polymers , 3 types, 57 molecules

#5: Chemical	ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE Mass: 427.201 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₀H₁₅N₅O₁₀P₂ / Feature type: SUBJECT OF INVESTIGATION / Comment: ADP, energy-carrying molecule*YM
#6: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₂H₆O₂
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 55 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y
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: 2.3 Å³/Da / Density % sol: 46.59 %
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: 1.00001 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Feb 27, 2019
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.00001 Å / Relative weight: 1
Reflection	Resolution: 2.69→47.3 Å / Num. obs: 53080 / % possible obs: 95.5 % / Redundancy: 1.8 % / R_sym value: 0.037 / Net I/σ(I): 13.16
Reflection shell	Resolution: 2.69→2.94 Å / Num. unique obs: 12483 / R_sym value: 0.437

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0267	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.69→47.3 Å / Cor.coef. F_o:F_c: 0.943 / Cor.coef. F_o:F_c free: 0.93 / SU B: 45.76 / SU ML: 0.404 / Cross valid method: THROUGHOUT / ESU R Free: 0.376 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.26525	765	1.4 %	RANDOM
R_work	0.22834	-	-	-
obs	0.22888	52315	95.64 %	-

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: 88.414 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	2.25 Å²	-0.57 Å²	1.5 Å²
2-	-	0.8 Å²	0.84 Å²
3-	-	-	-2.15 Å²

Refinement step

Cycle: 1 / Resolution: 2.69→47.3 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13586	774	31	55	14446

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.003	0.013	14249
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.017	13260
X-RAY DIFFRACTION	r_angle_refined_deg	1.278	1.604	19457
X-RAY DIFFRACTION	r_angle_other_deg	1.079	1.621	30390
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.086	5	1697
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	34.915	23.307	632
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.155	15	2289
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	12.804	15	62
X-RAY DIFFRACTION	r_chiral_restr	0.048	0.2	1953
X-RAY DIFFRACTION	r_gen_planes_refined	0.003	0.02	15605
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	3163
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	0.547	4.752	6825
X-RAY DIFFRACTION	r_mcbond_other	0.547	4.752	6824
X-RAY DIFFRACTION	r_mcangle_it	0.979	7.127	8509
X-RAY DIFFRACTION	r_mcangle_other	0.979	7.128	8510
X-RAY DIFFRACTION	r_scbond_it	0.422	4.786	7424
X-RAY DIFFRACTION	r_scbond_other	0.422	4.786	7423
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	0.753	7.169	10949
X-RAY DIFFRACTION	r_long_range_B_refined	1.863	54.867	15188
X-RAY DIFFRACTION	r_long_range_B_other	1.861	54.863	15185
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 2.69→2.76 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.488	49	-
R_work	0.4	3930	-
obs	-	-	96.06 %

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	6.1637	-2.8002	-0.3473	6.4679	1.8043	5.5807	-0.3227	-0.7677	-0.0033	0.658	0.3212	-0.583	0.4201	0.3015	0.0015	0.25	0.1561	0.0186	0.2314	-0.029	0.2244	0.703	-2.943	27.555
2	4.6382	0.0022	1.6083	7.0111	-1.2845	12.3341	-0.0751	-0.1719	-0.4727	-0.446	-0.2131	-0.268	0.9963	0.4938	0.2881	0.4191	0.1449	0.1233	0.0923	0.1037	0.1402	12.495	-20.095	1.845
3	11.7805	7.6175	1.9713	5.6134	6.437	39.5303	0.2213	-0.085	-0.334	0.2328	0.0251	-0.2146	0.4647	0.8879	-0.2464	0.4964	0.0693	0.0195	0.4826	0.0793	0.6495	26.258	-12.272	3.901
4	4.161	-2.1895	1.3124	8.5338	-3.5325	9.2194	-0.1097	-0.2883	-0.5624	-0.2511	0.1141	-0.2096	0.9584	-0.0366	-0.0044	0.2779	0.1463	0.1421	0.3288	0.051	0.2248	12.068	-25.767	10.351
5	5.5999	3.2077	-0.3927	3.2977	-1.0172	4.7701	0.1666	0.0021	0.3051	-0.0503	-0.1857	0.5133	0.2485	-0.4624	0.0191	0.4752	-0.0479	0.1137	0.2367	-0.0245	0.1708	-6.647	-19.192	-9.16
6	1.9833	-0.7246	-0.1278	3.5337	-1.7914	11.0545	-0.0918	-0.0077	0.2165	-0.1302	0.0914	0.2239	0.1987	-1.2326	0.0004	0.342	-0.2639	0.1554	0.5663	0.0133	0.4128	-20.238	-30.893	6.547
7	13.6632	1.2847	4.3705	10.5552	0.0502	1.4133	0.362	-1.8774	0.3561	0.056	-0.4892	0.5287	0.089	-0.5855	0.1271	0.6624	-0.0158	0.0488	0.707	0.0239	0.592	-30.864	-22.323	23.028
8	8.9201	-0.7477	-8.0271	1.136	2.7117	11.1366	0.2045	1.5192	-0.1966	0.0447	-0.2964	0.0455	-0.1341	-1.7043	0.092	0.8403	0.2361	0.3149	0.9763	-0.0297	0.5111	-32.441	-29.854	40.01
9	12.9188	-3.0545	-11.4361	12.014	4.6803	10.7097	-0.1082	1.3996	0.8923	0.1022	0.3161	0.2169	0.1142	-1.1931	-0.2079	0.7595	0.6159	0.1983	0.7325	0.1675	1.2303	-37.639	-13.532	49.915
10	3.7867	4.1852	-6.1475	10.6719	-4.8309	10.6442	0.2031	-0.1263	0.045	0.2745	0.0337	-0.559	-0.4043	0.2172	-0.2369	0.4464	0.0655	0.0266	0.5084	0.0883	0.4755	-38.969	-4.05	51.075
11	2.8602	-3.6339	-0.4737	33.0328	-25.9136	24.9136	0.5383	-0.5727	0.1146	1.0642	0.3762	1.0212	-1.6027	0.5753	-0.9145	0.5873	0.1006	0.1214	0.7085	0.1266	0.6956	-38.554	-5.747	61.341
12	5.4201	0.8851	2.9909	10.8167	-6.4025	6.1138	-0.2126	-0.2686	0.1947	0.3406	-0.3695	-0.5863	-0.3736	0.0621	0.5821	0.5683	0.0031	0.0216	0.3563	0.0045	0.4817	-32.32	-12.558	59.172
13	4.7422	-2.1755	-4.4733	7.9675	6.1311	6.6376	-0.06	0.1594	0.2517	-0.218	0.4216	-0.361	-0.1856	0.0278	-0.3617	0.6894	0.2625	0.117	0.5781	0.0174	0.269	-26.525	-21.999	45.735
14	1.6577	2.0238	-2.2931	3.0271	-3.7215	6.1901	-0.404	0.387	0.0826	-0.4803	0.432	0.281	0.7787	-0.8604	-0.0279	0.4164	-0.099	0.0865	0.2988	-0.0353	0.1966	-6.21	-16.82	-16.738
15	9.9263	5.0269	1.9122	2.6005	1.2141	5.3572	-0.4441	-0.0948	0.0617	-0.3479	-0.0338	-0.0397	-0.5515	0.1612	0.4779	0.4572	0.1244	0.2464	0.1376	0.0691	0.2956	13.937	-7.734	-16.584
16	3.7149	0.1826	0.251	2.3097	-1.7166	2.1411	-0.3127	0.1894	0.333	-0.7417	0.2925	-0.0209	0.3765	-0.325	0.0203	0.4802	0.0724	0.0773	0.2496	0.082	0.0711	9.046	-1.407	-29.806
17	13.9793	3.4779	5.1482	26.0002	12.3882	6.8064	-0.0359	0.8305	-1.1602	-0.6286	0.1553	0.377	-0.3071	0.2829	-0.1194	0.4563	0.0149	-0.0166	0.409	0.145	0.4187	2.335	8.461	-35.206
18	7.8464	1.6145	-1.7078	4.5035	4.0268	6.6849	-0.3104	0.7098	-0.0728	-1.4164	0.235	0.0284	-1.1345	0.2291	0.0753	0.7971	0.227	-0.0031	0.4586	0.1311	0.1308	7.595	19.265	-34.398
19	13.4249	4.8368	-5.64	4.7173	-2.217	4.0148	-0.2136	0.1982	-0.4515	0.0076	0.1042	-0.3022	0.0116	0.056	0.1094	0.4959	0.0353	-0.0357	0.3532	0.0331	0.3578	28.631	15.751	-53.122
20	8.7002	3.6004	-6.6545	11.4023	-3.4273	16.2125	0.1747	0.0128	0.3584	0.5605	0.151	-0.4567	-0.5525	0.2007	-0.3258	0.6704	0.1293	0.0443	0.475	0.1579	0.1867	26.471	24.328	-57.024
21	6.2756	0.1661	2.4555	2.6201	0.057	5.606	0.0791	0.1097	-0.1591	-0.5354	0.0026	0.2623	0.3711	-1.0635	-0.0816	0.1935	-0.0224	-0.0005	0.3698	0.0123	0.1335	-29.355	8.105	20.585
22	2.8691	0.0407	-0.7504	2.5771	-0.1961	4.6122	-0.1036	0.1676	-0.2859	-0.2543	0.2204	0.0539	0.1875	-0.582	-0.1167	0.1252	0.0552	0.0346	0.1978	0.0494	0.0519	-24.149	11.188	25.471
23	0.1335	0.6872	-0.184	5.0521	-1.4889	5.7934	0.0749	-0.0641	0.0829	0.2866	-0.1031	-0.0253	-0.6575	0.1204	0.0283	0.2915	0.1052	0.119	0.2245	-0.0745	0.2161	-20.236	19.167	25.871
24	2.4757	2.042	-5.7107	1.6849	-4.716	13.2679	-0.0445	0.5665	0.2527	-0.0313	0.4781	0.1964	0.1852	-1.4588	-0.4336	0.5613	-0.0065	0.0529	0.5322	-0.0002	0.6124	-2.677	17.56	16.564
25	4.3264	0.6549	-0.0669	4.1926	1.1311	7.2992	0.2441	0.8034	0.1302	-0.3536	0.0252	0.0506	0.2612	-0.097	-0.2694	0.2255	0.1618	0.0678	0.2697	0.0433	0.0921	-10.052	24.984	-2.43
26	7.3011	0.8998	0.0293	13.5891	-6.9609	3.5999	0.2567	0.0131	-1.3676	-1.1745	-0.7808	-1.1617	0.6343	0.413	0.5242	0.6541	-0.0038	0.0316	0.5156	0.0102	0.7881	-7.396	8.634	5.987
27	0.6804	-0.2704	1.1293	6.8191	-0.1533	2.2205	-0.0575	-0.0824	0.0437	-0.4281	0.1785	0.449	-0.1862	-0.4288	-0.1209	0.2244	0.0704	0.0304	0.3912	0.0742	0.3139	-22.543	29.019	1.126
28	3.7597	-1.8054	-5.7669	3.9219	2.1226	8.9902	0.6177	0.3738	0.4979	-0.3749	0.0828	-0.4497	-0.9579	-0.5773	-0.7004	0.4572	0.0557	-0.0554	0.5844	-0.0168	0.5866	-15.953	44.259	7.161
29	4.3232	-1.0157	-0.3852	1.4601	-2.1742	7.1278	0.1802	0.3007	0.9612	-0.0087	-0.1248	-0.1966	-1.321	-0.0887	-0.0555	0.6204	0.205	0.0458	0.255	0.1102	0.2478	-14.865	34.034	7.344
30	3.4471	0.0682	-0.2227	3.5167	2.2235	8.6306	0.251	-0.0114	0.1811	-0.0223	0.0892	-0.0914	-0.3468	0.5135	-0.3402	0.127	0.0037	0.1182	0.1658	-0.0271	0.1203	11.251	27.984	8.531
31	9.5441	3.3426	-1.9888	1.9652	-0.0622	2.4813	0.23	-0.9473	0.4543	0.1996	-0.0824	0.12	-0.5762	0.627	-0.1475	0.399	-0.0295	0.0913	0.2902	-0.0805	0.1085	0.436	34.168	30.499
32	6.7218	0.0301	-2.2867	5.6582	-0.5669	9.4126	-0.1388	-0.6709	-0.3571	0.788	0.246	0.1773	0.3931	0.6541	-0.1073	0.2763	0.2233	0.1039	0.4597	-0.0219	0.1803	-28.339	17.912	58.835
33	3.7491	1.6942	-3.0694	0.89	-1.8578	4.5196	0.2758	0.3767	0.5725	0.3064	0.2195	0.2636	-0.9294	-0.325	-0.4954	0.4774	0.043	0.2016	0.2078	0.003	0.2212	-10.013	31.896	30.261
34	5.479	2.3234	-2.3885	10.3722	5.267	5.2874	0.3385	-1.0444	0.2153	0.4546	0.1516	-0.4401	0.0538	0.9915	-0.4902	0.1444	-0.0605	0.1146	0.6634	-0.1943	0.1898	23.228	26.74	1.913
35	4.4202	1.2977	2.0669	2.4912	4.8252	9.4504	-0.1391	-0.4315	0.1008	-0.1886	0.4059	-0.1627	-0.2397	0.9343	-0.2667	0.365	0.0172	0.2543	0.5553	-0.1151	0.2095	26.62	24.919	-8.576
36	1.1476	-0.4409	-1.1498	1.8223	1.8981	6.1105	0.1131	0.0022	0.0347	-0.2364	0.1147	0.0971	-0.2462	0.1325	-0.2278	0.2358	0.0356	0.1384	0.1366	0.036	0.1443	14.37	22.587	-13.008
37	8.5251	3.0489	1.9618	7.2722	6.6707	6.2216	-0.1621	0.4276	1.3308	-0.8711	-0.2454	0.5581	-0.8431	-0.2416	0.4074	0.4314	-0.0739	0.1049	0.3598	0.2347	0.4589	16.564	31.393	-18.966
38	6.9668	1.7417	1.7326	7.5744	-0.3202	4.5721	0.2008	0.0204	-0.2928	-0.4124	0.4315	-0.9239	-0.2744	1.1147	-0.6323	0.3192	-0.0009	0.2331	0.4246	-0.1687	0.2821	26.114	17.894	-20.54
39	1.7922	0.3722	0.1263	10.9243	-10.046	12.0152	-0.2215	0.0672	0.3301	-0.0599	-0.1796	-0.2425	-0.8946	0.4612	0.4011	0.5744	0.0489	0.0821	0.4031	0.0367	0.1915	26.55	9.089	-34.488
40	6.2678	-1.7763	0.562	3.7875	1.692	7.2702	-0.1542	-0.9702	-1.1634	0.9497	0.2089	0.1783	1.4106	-0.1179	-0.0546	0.4793	0.0735	0.1089	0.5413	0.2009	0.351	-29.953	1.818	42.594
41	5.1301	2.0297	-2.68	2.421	1.8422	7.3832	-0.1484	-0.3718	0.0962	0.5403	-0.2358	0.4845	0.8327	-0.3208	0.3841	0.4212	0.1695	0.2125	0.229	0.0707	0.4623	-29.285	2.213	42.47

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	13 - 131
2	X-RAY DIFFRACTION	2	A	132 - 203
3	X-RAY DIFFRACTION	3	A	204 - 210
4	X-RAY DIFFRACTION	4	A	211 - 296
5	X-RAY DIFFRACTION	5	A	297 - 373
6	X-RAY DIFFRACTION	6	A	374 - 460
7	X-RAY DIFFRACTION	7	A	461 - 467
8	X-RAY DIFFRACTION	8	A	468 - 498
9	X-RAY DIFFRACTION	9	A	499 - 523
10	X-RAY DIFFRACTION	10	A	524 - 529
11	X-RAY DIFFRACTION	11	A	530 - 536
12	X-RAY DIFFRACTION	12	A	537 - 543
13	X-RAY DIFFRACTION	13	A	544 - 580
14	X-RAY DIFFRACTION	14	A	581 - 708
15	X-RAY DIFFRACTION	15	A	709 - 749
16	X-RAY DIFFRACTION	16	A	750 - 821
17	X-RAY DIFFRACTION	17	A	822 - 826
18	X-RAY DIFFRACTION	18	A	827 - 874
19	X-RAY DIFFRACTION	19	A	875 - 897
20	X-RAY DIFFRACTION	20	A	898 - 930
21	X-RAY DIFFRACTION	21	B	227 - 274
22	X-RAY DIFFRACTION	22	B	275 - 319
23	X-RAY DIFFRACTION	23	B	320 - 356
24	X-RAY DIFFRACTION	24	B	357 - 363
25	X-RAY DIFFRACTION	25	B	364 - 445
26	X-RAY DIFFRACTION	26	B	446 - 452
27	X-RAY DIFFRACTION	27	B	453 - 474
28	X-RAY DIFFRACTION	28	B	475 - 494
29	X-RAY DIFFRACTION	29	B	495 - 530
30	X-RAY DIFFRACTION	30	B	531 - 613
31	X-RAY DIFFRACTION	31	B	614 - 703
32	X-RAY DIFFRACTION	32	B	704 - 789
33	X-RAY DIFFRACTION	33	B	790 - 841
34	X-RAY DIFFRACTION	34	B	842 - 870
35	X-RAY DIFFRACTION	35	B	876 - 890
36	X-RAY DIFFRACTION	36	B	891 - 998
37	X-RAY DIFFRACTION	37	B	999 - 1006
38	X-RAY DIFFRACTION	38	B	1007 - 1071
39	X-RAY DIFFRACTION	39	B	1072 - 1116
40	X-RAY DIFFRACTION	40	C	7 - 23
41	X-RAY DIFFRACTION	41	D	26 - 46

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