PDB-3wyo: Heterodimeric myoglobin formed by domain swapping

ID or keywords:

Entry

Database: PDB / ID: 3wyo

Title

Heterodimeric myoglobin formed by domain swapping

Components

(Myoglobin) x 2

Keywords

OXYGEN BINDING / Globin

Function / homology

Function and homology information

Oxidoreductases; Acting on other nitrogenous compounds as donors / nitrite reductase activity / oxygen transport / sarcoplasm / Oxidoreductases; Acting on a peroxide as acceptor; Peroxidases / removal of superoxide radicals / oxygen carrier activity / peroxidase activity / oxygen binding / heme binding / metal ion binding
Similarity search - Function

Biological species

Equus caballus (horse)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2 Å

Authors

Lin, Y.W. / Nagao, S. / Zhang, M. / Shomura, Y. / Higuchi, Y. / Hirota, S.

Citation

Journal: Angew.Chem.Int.Ed.Engl. / Year: 2015
Title: Rational design of heterodimeric protein using domain swapping for myoglobin.
Authors: Lin, Y.W. / Nagao, S. / Zhang, M. / Shomura, Y. / Higuchi, Y. / Hirota, S.

History

Deposition	Sep 4, 2014	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Nov 19, 2014	Provider: repository / Type: Initial release
Revision 1.1	Aug 24, 2022	Group: Database references / Derived calculations Category: citation / database_2 ...citation / database_2 / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.title / _citation.year / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _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.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.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_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.2	Nov 8, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3wyo.cif.gz	264.2 KB	Display	PDBx/mmCIF format
PDB format	pdb3wyo.ent.gz	216.2 KB	Display	PDB format
PDBx/mmJSON format	3wyo.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/wy/3wyo ftp://data.pdbj.org/pub/pdb/validation_reports/wy/3wyo	HTTPS FTP

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Related structure data

Related structure data	1wlaS 3vm9 S: Starting model for refinement
Similar structure data	4cil-d 3mom-d 5ulh-d 2i5z-d 6j48-d 5w53-1 4e0e-1 5w53-2 6j5n-d 6j5p-d 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	#206 - Feb 2017 Globin Evolution similarity (3) #233 - May 2019 S-Nitrosylated Hemoglobin similarity (1) #262 - Oct 2021 Fifty Years of Open Access to PDB Structures similarity (1) #142 - Oct 2011 PDB Pioneers similarity (1)

Deposited unit

A: Myoglobin

B: Myoglobin

C: Myoglobin

D: Myoglobin

hetero molecules

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

1

A: Myoglobin

B: Myoglobin

hetero molecules

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

2

C: Myoglobin

D: Myoglobin

hetero molecules

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

Unit cell

Length a, b, c (Å)	55.702, 72.168, 161.520
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
1	2	A
2	2	C
1	3	A
2	3	D
1	4	B
2	4	C
1	5	B
2	5	D
1	6	C
2	6	D

NCS domain segments:

Component-ID: _ / Beg auth comp-ID: GLY / Beg label comp-ID: GLY / End auth comp-ID: GLY / End label comp-ID: GLY / Refine code: _ / Auth seq-ID: 1 - 153 / Label seq-ID: 1 - 153

Dom-ID	Ens-ID	Auth asym-ID	Label asym-ID
1	1	A	A
2	1	B	B
1	2	A	A
2	2	C	C
1	3	A	A
2	3	D	D
1	4	B	B
2	4	C	C
1	5	B	B
2	5	D	D
1	6	C	C
2	6	D	D

NCS ensembles :

ID
1
2
3
4
5
6

#1: Protein	Myoglobin Mass: 16997.672 Da / Num. of mol.: 2 / Mutation: H64V/V68H/E85K/D141K Source method: isolated from a genetically manipulated source Source: (gene. exp.) Equus caballus (horse) / Gene: MB / Production host: Escherichia coli (E. coli) / References: UniProt: P68082
#2: Protein	Myoglobin Mass: 16969.355 Da / Num. of mol.: 2 / Mutation: K78E/K79D Source method: isolated from a genetically manipulated source Source: (gene. exp.) Equus caballus (horse) / Gene: MB / Production host: Escherichia coli (E. coli) / References: UniProt: P68082
#3: Chemical	ChemComp-HEM / PROTOPORPHYRIN IX CONTAINING FE / HEME Mass: 616.487 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₃₄H₃₂FeN₄O₄
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 355 / 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: 2.39 Å³/Da / Density % sol: 48.52 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 25% (w/v) PEG 1000, 100mM MES-NaOH buffer, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SPring-8 / Beamline: BL38B1 / Wavelength: 1 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jul 11, 2014
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2→20 Å / Num. all: 49418 / Num. obs: 45097 / % possible obs: 100 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 7.5 % / R_merge(I) obs: 0.073 / Net I/σ(I): 27
Reflection shell	Resolution: 2→2.03 Å / Redundancy: 6.1 % / R_merge(I) obs: 0.63 / Mean I/σ(I) obs: 2.9 / Num. unique all: 2198 / % possible all: 100

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Processing

Software

Name	Version	Classification
HKL-2000		data collection
MOLREP		phasing
REFMAC	5.8.0073	refinement
HKL-2000		data reduction
HKL-2000		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1WLA

1wla

Resolution: 2→20 Å / Cor.coef. F_o:F_c: 0.937 / Cor.coef. F_o:F_c free: 0.904 / SU B: 10.215 / SU ML: 0.164 / Cross valid method: THROUGHOUT / ESU R: 0.259 / ESU R Free: 0.206 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.26616	2004	4.9 %	RANDOM
R_work	0.22595	-	-	-
obs	0.22795	39225	91.33 %	-

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: 33.483 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.48 Å²	-0 Å²	0 Å²
2-	-	0.23 Å²	0 Å²
3-	-	-	-0.71 Å²

Refinement step

Cycle: LAST / Resolution: 2→20 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4796	0	172	355	5323

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.012	0.019	5136
X-RAY DIFFRACTION	r_bond_other_d	0.007	0.02	4976
X-RAY DIFFRACTION	r_angle_refined_deg	1.507	1.999	6964
X-RAY DIFFRACTION	r_angle_other_deg	1.364	3	11491
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.277	5	614
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	34.697	25.116	215
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.554	15	921
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	14.291	15	8
X-RAY DIFFRACTION	r_chiral_restr	0.122	0.2	723
X-RAY DIFFRACTION	r_gen_planes_refined	0.01	0.02	5772
X-RAY DIFFRACTION	r_gen_planes_other	0.008	0.02	1174
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	0.738	1.078	2459
X-RAY DIFFRACTION	r_mcbond_other	0.737	1.077	2458
X-RAY DIFFRACTION	r_mcangle_it	1.223	1.61	3072
X-RAY DIFFRACTION	r_mcangle_other	1.223	1.611	3073
X-RAY DIFFRACTION	r_scbond_it	0.973	1.307	2677
X-RAY DIFFRACTION	r_scbond_other	0.968	1.306	2675
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	1.562	1.923	3892
X-RAY DIFFRACTION	r_long_range_B_refined	5.857	10.266	6438
X-RAY DIFFRACTION	r_long_range_B_other	5.756	9.775	6270
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-ID	Dom-ID	Auth asym-ID	Number	Rms dev position (Å)
1	1	A	8132	0.11
1	2	B	8132	0.11
2	1	A	8257	0.13
2	2	C	8257	0.13
3	1	A	8132	0.11
3	2	D	8132	0.11
4	1	B	7884	0.13
4	2	C	7884	0.13
5	1	B	8185	0.12
5	2	D	8185	0.12
6	1	C	8066	0.12
6	2	D	8066	0.12

LS refinement shell

Resolution: 1.996→2.048 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.318	97	-
R_work	0.262	1583	-
obs	-	-	51.47 %

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	1.1963	-0.3654	0.4361	2.5781	-0.7295	5.0747	0.0675	-0.0736	-0.1429	0.123	-0.0122	-0.0604	0.5917	0.1427	-0.0554	0.2194	0.014	-0.0012	0.1146	0.011	0.2073	4.2581	-7.3532	-38.981
2	1.5617	-0.9991	-0.4753	5.811	2.5315	6.6262	0.0369	0.1534	0.0653	-0.2655	-0.0993	-0.0719	0.1425	0.1303	0.0625	0.158	0.0284	0.0268	0.1865	0.0192	0.1503	8.3474	0.7485	-55.3469
3	3.2934	0.167	-1.466	1.5999	1.0811	12.8077	0.0128	0.0475	0.0206	-0.0317	0.0234	-0.1859	0.1785	0.1423	-0.0363	0.1649	0.0584	0.0013	0.1466	0.0157	0.2	11.9529	-3.4917	-37.9334
4	3.5196	-1.5972	-0.478	4.8786	2.9518	18.1229	0.17	-0.2203	0.2519	-0.0366	-0.3016	-0.0427	-0.275	0.3932	0.1317	0.252	-0.0026	-0.0077	0.162	0.0479	0.1906	11.5478	-3.7628	-20.7613
5	1.9577	0.829	-0.0255	4.0677	2.7489	5.6373	0.1508	-0.0851	0.0241	0.3887	-0.5485	0.2585	0.8456	-1.2489	0.3977	0.1944	-0.1251	0.0719	0.4076	-0.0412	0.0678	5.8724	0.7161	-2.1406
6	33.9046	1.6623	-0.7183	0.6641	-1.8605	20.4757	0.5786	0.7588	2.4255	-0.0095	0.4554	0.257	-2.0146	0.2403	-1.0341	0.4235	-0.1787	0.0359	0.516	0.0418	0.3382	15.4009	21.1817	-1.5022
7	3.3719	4.5215	2.0821	23.0625	2.4431	6.8441	-0.1166	0.0623	0.475	-0.0111	0.2497	0.3712	-0.5591	-0.2927	-0.1331	0.1618	0.1226	0.0259	0.2904	0.0196	0.206	7.794	16.5345	-9.9996
8	3.9065	5.2888	0.44	22.9253	3.3427	4.6781	0.195	-0.2063	-0.163	0.4081	-0.6485	1.1432	0.6242	-0.8627	0.4535	0.1724	-0.113	0.0103	0.4669	-0.0896	0.148	1.3719	-2.8175	-10.2668
9	0.2709	-0.1284	1.5444	6.1755	1.3496	13.1734	0.1002	0.1289	0.0176	-0.0337	0.0099	-0.2157	0.2443	0.1299	-0.1102	0.1645	0.0406	-0.0104	0.2153	0.0025	0.2053	11.6016	15.1318	-19.3257
10	2.2862	1.7656	-2.409	2.6367	-2.2998	7.9082	0.0622	-0.1286	0.2438	0.1514	0.063	0.0582	-0.3663	0.0841	-0.1252	0.2014	0.0717	-0.0211	0.2368	-0.0228	0.1808	17.1941	11.9996	-1.8876
11	3.286	-0.4274	3.1558	1.5552	-3.2716	8.5308	-0.2062	-0.5673	-0.0688	-0.3217	0.1685	-0.0574	0.6136	-0.8492	0.0377	0.4773	-0.0794	0.0594	0.3654	-0.0073	0.0087	8.12	0.7956	11.2031
12	0.0523	0.0588	0.5007	0.438	-0.4452	14.5064	-0.0318	-0.0503	-0.0225	0.1553	-0.064	-0.0676	-0.089	0.2072	0.0958	0.1955	0.0633	-0.0021	0.265	-0.003	0.1616	17.5987	4.0494	3.9239
13	2.4149	0.1788	4.0269	2.3036	-1.6903	13.4214	0.1533	-0.2068	-0.19	0.0279	-0.0307	-0.0467	0.7106	0.3737	-0.1226	0.2287	0.0503	0.0088	0.1644	0.0174	0.1664	14.7391	6.012	-22.6529
14	1.2733	1.3171	0.0947	3.2652	0.0683	1.8553	0.0271	0.0057	0.0494	0.0343	-0.1218	0.1338	-0.0018	0.0402	0.0947	0.1885	0.0281	0.007	0.1386	0.0069	0.1913	3.6125	1.9299	-40.713
15	1.9483	4.2051	0.6154	11.4184	0.5094	0.7972	0.2031	-0.1224	0.0288	0.5514	-0.224	0.1861	0.1072	-0.1421	0.0209	0.2036	-0.0065	0.0229	0.153	-0.0035	0.1833	0.9689	-0.8144	-31.4058
16	13.6165	-9.9473	4.6116	14.7743	-12.2089	11.9714	-0.881	-0.1578	-0.24	1.131	1.0402	0.2233	-0.8934	-1.1647	-0.1592	0.3087	0.0691	-0.0292	0.156	-0.102	0.369	5.6392	18.5817	-32.0486
17	7.6783	-1.6588	7.038	5.8696	-2.7193	15.9686	0.1563	0.4219	0.7082	-0.5671	-0.2267	-0.3569	0.0796	0.4581	0.0704	0.1603	0.0189	0.0905	0.2062	-0.0308	0.2344	-17.5635	11.3515	-23.0839
18	6.1205	2.2965	-2.8435	4.9965	-1.2999	4.3502	-0.2488	-0.5425	-0.1075	0.2132	0.101	-0.3859	0.1333	0.4512	0.1478	0.1219	0.1461	-0.0477	0.3058	-0.0037	0.1457	-21.4756	1.9417	-5.5943
19	2.591	3.7743	2.96	5.5768	4.0934	11.0209	-0.2217	-0.3943	-0.2597	-0.3343	-0.4338	-0.3787	0.3376	-0.0884	0.6556	0.2992	0.1458	0.0067	0.4125	0.1114	0.1924	-23.3052	-7.4901	1.5254
20	1.555	0.0449	-0.0999	3.0995	-5.147	20.9387	-0.0968	-0.2242	-0.1807	0.041	0.0776	-0.1854	0.1604	0.4342	0.0193	0.132	0.0586	0.0057	0.2582	-0.0262	0.3074	-14.6279	0.2349	-16.2888
21	6.8764	0.9107	1.1221	4.6458	0.1279	11.2977	0.1288	-0.0776	0.819	0.0321	-0.3786	0.0358	-0.6471	-0.3101	0.2498	0.1755	0.0833	0.0747	0.149	-0.0424	0.2665	-16.5746	13.0554	-47.4298
22	3.039	-2.1305	-0.733	10.1256	2.0009	2.2747	0.1141	0.055	-0.0756	0.0997	-0.0676	0.454	0.2931	-0.425	-0.0465	0.1178	0.0199	-0.0157	0.2504	-0.0294	0.1982	-23.6723	-5.7674	-53.6541
23	1.6077	-0.1052	-0.7103	13.0449	1.6919	2.5809	0.1607	-0.1562	-0.0173	0.2687	-0.1443	0.54	0.0847	-0.3137	-0.0164	0.0958	0.0237	0.0279	0.2604	-0.0182	0.2718	-24.8867	-0.5286	-42.9702
24	30.763	-13.4071	8.4276	10.1589	-11.9577	18.4287	0.1473	0.5953	-0.6982	-0.0098	0.3457	0.5811	-0.4431	-0.9988	-0.4929	0.6982	-0.0235	-0.3191	0.1369	-0.067	0.4943	-24.172	16.5898	-42.3522
25	14.5376	2.6926	-9.154	4.6413	2.9198	13.2752	-0.1131	-1.1115	-0.3468	0.9222	0.0357	0.3713	0.5619	0.2788	0.0774	0.4316	0.2256	0.1953	0.391	0.1648	0.3103	-21.8709	-11.7626	-36.7415
26	1.2431	-1.8802	-0.1774	5.388	-2.1799	4.4358	0.1458	0.0643	-0.0119	-0.2865	-0.1405	0.0573	0.211	-0.1592	-0.0053	0.1623	0.019	-0.0202	0.1793	-0.038	0.2216	-16.3492	-6.6658	-54.4349
27	3.8332	0.2049	0.3065	4.9844	-5.0906	5.2934	-0.2337	0.2507	0.2477	0.1169	0.0023	-0.2079	-0.262	-0.028	0.2314	0.5058	0.2598	0.0553	0.1723	0.0554	0.1637	-17.409	9.9177	-62.8637
28	2.291	0.0696	-1.1658	1.8196	-2.2191	12.4198	0.075	0.3738	0.1149	-0.3199	-0.2141	0.0535	0.0498	0.0585	0.1391	0.2031	0.0569	0.0109	0.2007	-0.0157	0.2282	-12.2099	-0.2208	-58.1088
29	14.1891	-2.7059	-1.1065	12.9062	-0.3273	19.7052	0.04	-0.1154	0.0634	0.3063	0.0172	0.2529	-0.3592	0.1286	-0.0572	0.2145	-0.0107	0.0445	0.1636	-0.0467	0.1802	-15.9133	-5.4036	-33.2973
30	4.9201	-2.0096	-3.08	4.7472	4.426	6.8055	-0.5071	0.0006	-0.6168	0.3225	-0.0341	0.1084	1.002	0.1629	0.5412	0.2378	0.0751	0.1205	0.1395	0.0494	0.1589	-24.6223	-10.2796	-16.828
31	2.1358	0.1726	-1.1294	4.1697	0.5744	1.9083	-0.0161	-0.0833	0.1762	-0.2843	-0.0255	-0.1353	-0.1893	-0.0677	0.0416	0.1275	0.0449	-0.0027	0.2211	-0.0188	0.2176	-24.8203	5.9499	-17.5047
32	29.2039	1.2278	-5.4859	2.2863	4.3822	24.3808	0.2091	-0.4623	0.1233	0.0126	0.0871	0.8325	-0.2603	-0.8237	-0.2962	0.2999	0.0271	0.0657	0.1091	0.1988	0.5945	-30.1469	-15.2653	-23.6353

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 39
2	X-RAY DIFFRACTION	2	A	40 - 63
3	X-RAY DIFFRACTION	3	A	64 - 77
4	X-RAY DIFFRACTION	4	A	78 - 86
5	X-RAY DIFFRACTION	5	A	87 - 114
6	X-RAY DIFFRACTION	6	A	115 - 122
7	X-RAY DIFFRACTION	7	A	123 - 136
8	X-RAY DIFFRACTION	8	A	137 - 153
9	X-RAY DIFFRACTION	9	B	1 - 8
10	X-RAY DIFFRACTION	10	B	9 - 32
11	X-RAY DIFFRACTION	11	B	33 - 51
12	X-RAY DIFFRACTION	12	B	52 - 76
13	X-RAY DIFFRACTION	13	B	77 - 87
14	X-RAY DIFFRACTION	14	B	88 - 120
15	X-RAY DIFFRACTION	15	B	121 - 147
16	X-RAY DIFFRACTION	16	B	148 - 153
17	X-RAY DIFFRACTION	17	C	1 - 16
18	X-RAY DIFFRACTION	18	C	17 - 39
19	X-RAY DIFFRACTION	19	C	40 - 55
20	X-RAY DIFFRACTION	20	C	56 - 86
21	X-RAY DIFFRACTION	21	C	87 - 100
22	X-RAY DIFFRACTION	22	C	101 - 124
23	X-RAY DIFFRACTION	23	C	125 - 147
24	X-RAY DIFFRACTION	24	C	148 - 153
25	X-RAY DIFFRACTION	25	D	1 - 8
26	X-RAY DIFFRACTION	26	D	9 - 36
27	X-RAY DIFFRACTION	27	D	37 - 49
28	X-RAY DIFFRACTION	28	D	50 - 77
29	X-RAY DIFFRACTION	29	D	78 - 84
30	X-RAY DIFFRACTION	30	D	85 - 106
31	X-RAY DIFFRACTION	31	D	107 - 146
32	X-RAY DIFFRACTION	32	D	147 - 153

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