PDB-1oh5: THE CRYSTAL STRUCTURE OF E. COLI MUTS BINDING TO DNA WITH A C:A M...

ID or keywords:

Entry

Database: PDB / ID: 1oh5

Title

THE CRYSTAL STRUCTURE OF E. COLI MUTS BINDING TO DNA WITH A C:A MISMATCH

Components

5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*CP*GP *CP*AP*CP*CP*AP*GP*TP*GP*TP*CP*AP*GP*CP*GP*TP *CP*CP*TP*AP*T)-3'
5'-D(*AP*TP*AP*GP*GP*AP*CP*GP*CP*TP *GP*AP*CP*AP*CP*TP*GP*GP*TP*GP*CP*AP*TP*GP*GP *CP*AP*GP*CP*T)-3'
DNA MISMATCH REPAIR PROTEIN MUTS

Keywords

DNA BINDING / MISMATCH RECOGNITION

Function / homology

Function and homology information

adenine/cytosine mispair binding / MutS complex / mismatch repair complex / regulation of DNA recombination / mismatched DNA binding / DNA binding, bending / ATP-dependent DNA damage sensor activity / mismatch repair / ADP binding / damaged DNA binding ...
Similarity search - Function

Biological species

ESCHERICHIA COLI (E. coli)
synthetic construct (others)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.9 Å

Authors

Natrajan, G. / Lamers, M.H. / Enzlin, J.H. / Winterwerp, H.H.K. / Perrakis, A. / Sixma, T.K.

Citation

Journal: Nucleic Acids Res. / Year: 2003
Title: Structures of E. Coli DNA Mismatch Repair Enzyme Muts in Complex with Different Mismatches: A Common Recognition Mode for Diverse Substrates
Authors: Natrajan, G. / Lamers, M.H. / Enzlin, J.H. / Winterwerp, H.H.K. / Perrakis, A. / Sixma, T.K.

History

Deposition	May 23, 2003	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Aug 8, 2003	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.2	Jul 24, 2019	Group: Data collection / Category: diffrn_source / Item: _diffrn_source.pdbx_synchrotron_site
Revision 1.3	Jul 29, 2020	Group: Derived calculations / Other / Source and taxonomy Category: pdbx_database_status / pdbx_entity_src_syn ...pdbx_database_status / pdbx_entity_src_syn / pdbx_struct_conn_angle / struct_conn Item: _pdbx_database_status.status_code_sf / _pdbx_entity_src_syn.ncbi_taxonomy_id ..._pdbx_database_status.status_code_sf / _pdbx_entity_src_syn.ncbi_taxonomy_id / _pdbx_entity_src_syn.organism_scientific / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_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_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_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_conn.ptnr2_label_seq_id
Revision 1.4	Dec 13, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

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Validation report

Summary document	1oh5_validation.pdf.gz	766.9 KB	Display	wwPDB validaton report
Full document	1oh5_full_validation.pdf.gz	795.2 KB	Display
Data in XML	1oh5_validation.xml.gz	53.7 KB	Display
Data in CIF	1oh5_validation.cif.gz	74 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/oh/1oh5 ftp://data.pdbj.org/pub/pdb/validation_reports/oh/1oh5	HTTPS FTP

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Related structure data

Related structure data	1oh6C 1oh7C 1oh8C 1e3mS 1ng9 S: Starting model for refinement C: citing same article (ref.)
Similar structure data	1oh6-d 3k0s-d 1wbd-d 2wtu-d 1e3m-d 1oh8-d 1oh7-d 1wbb-d 1wb9-d 3zlj-1 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
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PDB pages

PDBj /

wwPDB /

NCBI

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Deposited unit

A: DNA MISMATCH REPAIR PROTEIN MUTS

B: DNA MISMATCH REPAIR PROTEIN MUTS

E: 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*CP*GP *CP*AP*CP*CP*AP*GP*TP*GP*TP*CP*AP*GP*CP*GP*TP *CP*CP*TP*AP*T)-3'

F: 5'-D(*AP*TP*AP*GP*GP*AP*CP*GP*CP*TP *GP*AP*CP*AP*CP*TP*GP*GP*TP*GP*CP*AP*TP*GP*GP *CP*AP*GP*CP*T)-3'

hetero molecules

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

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	89.913, 91.887, 261.173
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

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Protein , 1 types, 2 molecules AB

#1: Protein	DNA MISMATCH REPAIR PROTEIN MUTS / MUTS / FDV / B2733 Mass: 89604.359 Da / Num. of mol.: 2 / Fragment: RESIDUES 1-800 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ESCHERICHIA COLI (E. coli) / Strain: B834 DE3 / Variant: PLYSS / Plasmid: PM800 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): B834 DE3 / Variant (production host): PLYSS / References: UniProt: P23909

#1: Protein

DNA MISMATCH REPAIR PROTEIN MUTS / MUTS / FDV / B2733

Mass: 89604.359 Da / Num. of mol.: 2 / Fragment: RESIDUES 1-800
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

ESCHERICHIA COLI (E. coli) / Strain: B834 DE3 / Variant: PLYSS / Plasmid: PM800 / Production host:

ESCHERICHIA COLI (E. coli) / Strain (production host): B834 DE3 / Variant (production host): PLYSS / References: UniProt: P23909

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DNA chain , 2 types, 2 molecules EF

#2: DNA chain	5'-D(APGPCPTPGPCPCPAPCPGP CPAPCPCPAPGPTPGPTPCPAPGPCPGPTP CPCPTPAPT)-3' Mass: 9144.881 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: CHEMICALLY SYNTHESIZED / Source: (synth.) synthetic construct (others)
#3: DNA chain	5'-D(APTPAPGPGPAPCPGPCPTP GPAPCPAPCPTPGPGPTPGPCPAPTPGPGP CPAPGPCPT)-3' Mass: 9288.979 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: CHEMICALLY SYNTHESIZED / Source: (synth.) synthetic construct (others)

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Non-polymers , 3 types, 59 molecules

#4: Chemical	ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE Mass: 427.201 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₀H₁₅N₅O₁₀P₂ / Comment: ADP, energy-carrying molecule*YM
#5: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Mg
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 57 / Source method: isolated from a natural source / Formula: H₂O

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Details

Compound details	FUNCTION: THIS PROTEIN IS INVOLVED IN THE REPAIR OF MISMATCHES IN DNA. IT CARRIES OUT THE MISMATCH ...FUNCTION: THIS PROTEIN IS INVOLVED IN THE REPAIR OF MISMATCHES IN DNA. IT CARRIES OUT THE MISMATCH RECOGNITION STEP. THIS PROTEIN HAS A WEAK ATPASE ACTIVITY. SIMILARITY: BELONGS TO THE DNA MISMATCH REPAIR MUTS FAMILY.

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal

Density Matthews: 2.6 Å³/Da / Density % sol: 52.2 %
Description: STRUCTURE DETERMINED BY RIGID BODY REFINEMENT USING REFMAC5

Crystal grow

pH: 7
Details: 12-14 % PEG 6000, 150-300 MM NACL 25 MM HEPES PH 7-8, 10 MM MGCL2, 100-150 MICROM ADP

Crystal grow

*PLUS

pH: 7.5 / Method: vapor diffusion, hanging drop

Components of the solutions

*PLUS

ID	Conc.	Common name	Crystal-ID	Sol-ID	Chemical formula	Details
1	11-14 %	PEG6000	1	reservoir
2	350-750 mM		1	reservoir	NaCl
3	10 mM		1	reservoir	MgCl2
4	25 mM	HEPES	1	reservoir		pH7.5
5	14 mg/ml	protein	1	drop

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: X11 / Wavelength: 0.811
Detector	Type: MARRESEARCH / Detector: CCD / Date: Jul 15, 2002 / Details: MIRRORS
Radiation	Monochromator: TRIANGULAR / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.811 Å / Relative weight: 1
Reflection	Resolution: 2.9→20 Å / Num. obs: 45607 / % possible obs: 93.8 % / Redundancy: 9.9 % / R_merge(I) obs: 0.095 / Net I/σ(I): 12.21
Reflection shell	Resolution: 2.9→3.03 Å / Redundancy: 3.9 % / R_merge(I) obs: 0.76 / Mean I/σ(I) obs: 1.97 / % possible all: 95.4
Reflection	PLUS Highest resolution: 2.9 Å / Lowest resolution: 15 Å / Num. obs: 48834 / % possible obs: 95.4 % / Num. measured all: 454107 / R_merge(I) obs*: 0.095
Reflection shell	PLUS Highest resolution: 2.9 Å / Lowest resolution: 3 Å / % possible obs: 93.8 % / R_merge(I) obs: 0.76 / Mean I/σ(I) obs*: 1.97

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Processing

Software

Name	Version	Classification
REFMAC	5.1.24	refinement
DENZO		data reduction
SCALEPACK		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1E3M

1e3m

Resolution: 2.9→15 Å / Cor.coef. F_o:F_c: 0.933 / Cor.coef. F_o:F_c free: 0.886 / SU B: 19.64 / SU ML: 0.368 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R Free: 0.486 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.294	2239	4.9 %	RANDOM
R_work	0.224	-	-	-
obs	0.228	43051	93.5 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 37.77 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.29 Å²	0 Å²	0 Å²
2-	-	6.51 Å²	0 Å²
3-	-	-	-5.22 Å²

Refinement step

Cycle: LAST / Resolution: 2.9→15 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12171	712	28	57	12968

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.01	0.021	13208
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	11954
X-RAY DIFFRACTION	r_angle_refined_deg	1.293	2.044	18024
X-RAY DIFFRACTION	r_angle_other_deg	0.812	3	27738
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.317	5	1536
X-RAY DIFFRACTION	r_dihedral_angle_2_deg
X-RAY DIFFRACTION	r_dihedral_angle_3_deg
X-RAY DIFFRACTION	r_dihedral_angle_4_deg
X-RAY DIFFRACTION	r_chiral_restr	0.065	0.2	2012
X-RAY DIFFRACTION	r_gen_planes_refined	0.003	0.02	14148
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	2511
X-RAY DIFFRACTION	r_nbd_refined	0.2	0.2	2924
X-RAY DIFFRACTION	r_nbd_other	0.216	0.2	14132
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other	0.084	0.2	7953
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.149	0.2	211
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	0.189	0.2	25
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.194	0.2	106
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.09	0.2	3
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	0.314	1.5	7676
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	0.609	2	12329
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	0.903	3	5532
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	1.565	4.5	5695
X-RAY DIFFRACTION	r_scangle_other
X-RAY DIFFRACTION	r_long_range_B_refined
X-RAY DIFFRACTION	r_long_range_B_other
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 2.9→2.97 Å / Total num. of bins used: 20 /

	R_factor	Num. reflection
R_free	0.392	157
R_work	0.309	3025

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	3.3841	-0.3582	0.5966	1.5826	-0.8809	6.2094	-0.0299	0.1669	0.1538	0.1143	0.0877	0.1782	-0.264	-0.1847	-0.0578	0.2223	-0.0675	-0.0096	0.1886	0.0069	0.2842	96.1764	81.7427	33.7682
2	3.1457	1.3894	-0.5678	2.6334	0.4939	1.4711	0.0711	0.2042	0.0031	-0.0532	0.0446	0.0413	0.0506	0.0596	-0.1157	0.1377	0.0034	-0.0162	0.1176	0.0096	0.2599	122.0411	82.7714	18.9287
3	1.1079	-0.137	-1.5879	1.5399	1.2729	2.2442	-0.0206	-0.3494	-0.2338	0.2064	0.1627	-0.2665	0.2734	0.2535	-0.1421	0.2819	0.093	-0.0882	0.2775	0.0101	0.3756	135.6467	70.4378	32.9823
4	1.4543	0.1471	0.2757	-5.4424	-2.6076	3.9692	-0.4368	-0.4919	0.0279	0.6212	0.5884	-0.4764	0.889	0.6198	-0.1516	0.3965	0.1156	-0.1183	0.3458	0.052	0.346	143.3722	63.3706	32.3562
5	4.0793	2.5884	-0.3803	7.9975	-0.1118	9.6724	-0.0979	-0.162	0.0441	-0.0313	0.3703	-0.0917	-0.0117	0.5794	-0.2724	0.2652	0.0719	0.025	0.236	-0.0628	0.1668	92.4745	75.3518	77.0142
6	5.3035	-0.4621	-1.3899	1.5454	1.0829	3.8355	0.0191	-0.9738	0.1776	0.6039	0.1172	0.0082	0.3266	0.3859	-0.1364	0.5095	-0.0133	-0.0595	0.3858	0.0109	0.3274	126.5453	82.6253	54.1716
7	-0.1469	0.2365	-1.4709	-0.4044	-0.4124	1.674	0.3563	-0.1972	0.1904	0.2314	-0.0692	0.0432	-0.2086	-0.1341	-0.2871	0.4515	-0.1191	0.0566	0.5394	-0.0451	0.4412	116.524	87.1116	54.9141
8	0.6771	0.2682	1.868	1.6676	1.3885	4.4801	-0.009	-0.1446	-0.0528	0.155	0.1073	-0.1111	0.2076	-0.1093	-0.0983	0.212	0.0271	0.0677	0.1523	-0.0106	0.4429	141.0819	57.6156	5.6765
9	7.069	2.7818	-2.6692	15.8305	-4.5208	4.6601	0.0527	-0.5548	-1.0578	0.5055	-0.4533	0.1865	1.1707	0.0342	0.4006	0.4438	0.0604	0.0724	0.3402	-0.0847	0.6295	144.4734	40.5039	6.2411
10	12.216	0.2189	-1.9958	4.0744	0.8714	3.58	-0.2076	-0.4166	-0.8939	0.3601	0.3182	-0.5952	-0.3793	-0.078	-0.1106	0.2599	0.1479	-0.0338	0.089	0.0302	0.5038	134.1207	31.9432	-5.0033
11	8.4021	2.2061	-2.4438	7.1469	1.8147	13.2753	0.8479	-0.5904	0.7636	1.394	-0.5778	-0.4939	-1.49	0.9848	-0.27	0.875	-0.3154	0.0631	0.4416	-0.0261	0.608	106.8432	48.1392	43.6667
12	2.2479	-0.8659	-0.6696	3.6373	0.2398	3.6906	0.0525	0.0256	-0.2249	0.0023	-0.0188	-0.4156	0.4038	0.6021	-0.0337	0.3119	0.0187	0.0171	0.2356	0.0257	0.3006	102.3475	27.4536	25.9543
13	2.1724	-0.2441	-1.9145	0.7704	0.4575	2.8539	0.119	0.1007	0.1313	-0.0602	-0.0913	-0.0079	-0.1438	-0.1208	-0.0277	0.2685	0.0504	0.0125	0.1452	0.0883	0.2549	87.8155	40.572	13.6922
14	5.8429	1.4857	-7.6901	2.3219	-0.5431	5.8947	0.1002	0.3777	0.3535	-0.1428	0.1283	-0.3812	-0.4374	-1.4081	-0.2285	0.2385	0.1374	0.0071	0.2958	0.0695	0.1632	86.1727	43.6011	3.8678
15	4.8348	4.1158	-1.6449	12.5733	3.0679	1.6908	-0.0876	-0.2628	0.129	-0.1491	-0.1702	0.5231	-0.2774	-0.2561	0.2578	0.401	0.0549	-0.0109	0.4727	-0.0289	0.2651	72.3008	73.3724	61.7027
16	1.9	-1.8954	-2.0237	2.5422	3.3117	5.8198	0.0789	0.0591	0.0403	0.1309	-0.2172	0.1288	0.1094	-0.7159	0.1384	0.3741	-0.0067	0.0522	0.2748	0.0599	0.3074	70.8768	43.9782	33.6053
17	1.5418	-1.0731	-0.4966	0.5689	0.382	-1.3119	-0.0585	-0.4296	0.0954	0.3345	0.1941	0.1096	0.1196	0.1113	-0.1356	0.5282	-0.1039	0.0613	0.3705	0.0422	0.3012	73.8201	44.5202	43.8384
18	7.3636	-0.2985	-1.4673	0.4512	-0.115	0.5706	0.0952	0.0052	-0.2701	-0.0633	-0.0205	-0.0716	-0.1139	-0.0844	-0.0747	0.2261	0.0633	0.0072	0.0716	0.0536	0.2484	110.8043	37.6003	-6.8229
19	3.8938	3.7029	0.1173	7.4723	-0.8009	1.1653	-0.166	0.3255	1.3389	0.4792	0.3626	1.4799	-0.4085	0.7008	-0.1966	0.412	0.0371	0.0451	0.37	0.0193	0.3465	112.8223	52.3332	-16.2889
20	5.3945	2.9238	3.0012	3.7049	2.0123	4.4729	-0.2671	0.3635	0.5167	-0.6129	0.2772	-0.3209	-0.0707	0.2884	-0.0101	0.2379	0.0373	0.0482	0.1101	0.128	0.362	129.9798	57.3654	-15.9916
21	3.3955	3.2485	-4.3239	0.9648	-0.2717	7.6305	0.1174	0.3787	0.6435	0.0037	0.0224	0.7791	0.1301	-1.2023	-0.1398	0.5287	-0.1177	-0.0742	0.5838	0.0384	0.4218	85.2803	77.4877	51.1504

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	2 - 115
2	X-RAY DIFFRACTION	2	A	116 - 265
3	X-RAY DIFFRACTION	3	A	266 - 387
4	X-RAY DIFFRACTION	4	A	550 - 567
5	X-RAY DIFFRACTION	5	A	444 - 503
6	X-RAY DIFFRACTION	6	A	388 - 443
7	X-RAY DIFFRACTION	7	A	504 - 549
8	X-RAY DIFFRACTION	8	A	568 - 741
9	X-RAY DIFFRACTION	8	A	1801
10	X-RAY DIFFRACTION	8	A	1802
11	X-RAY DIFFRACTION	9	A	742 - 765
12	X-RAY DIFFRACTION	10	A	766 - 800
13	X-RAY DIFFRACTION	11	B	2 - 115
14	X-RAY DIFFRACTION	12	B	116 - 265
15	X-RAY DIFFRACTION	13	B	266 - 387
16	X-RAY DIFFRACTION	14	B	550 - 567
17	X-RAY DIFFRACTION	15	B	444 - 503
18	X-RAY DIFFRACTION	16	B	388 - 443
19	X-RAY DIFFRACTION	17	B	504 - 549
20	X-RAY DIFFRACTION	18	B	568 - 741
21	X-RAY DIFFRACTION	19	B	742 - 765
22	X-RAY DIFFRACTION	20	B	766 - 800
23	X-RAY DIFFRACTION	21	E	1 - 18
24	X-RAY DIFFRACTION	21	F	14 - 30

Refinement

*PLUS

Highest resolution: 2.9 Å / Lowest resolution: 15 Å / R_factor R_free: 0.293

Solvent computation

*PLUS

Displacement parameters

*PLUS

Refine LS restraints

*PLUS

Refine-ID	Type	Dev ideal
X-RAY DIFFRACTION	r_bond_d	0.01
X-RAY DIFFRACTION	r_angle_d
X-RAY DIFFRACTION	r_angle_deg	1.293

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