PDB-3h0k: Crystal structure of an adenylated kinase related protein from su...

ID or keywords:

Entry

Database: PDB / ID: 3h0k

Title

Crystal structure of an adenylated kinase related protein from sulfolobus solfataricus to 3.25a

Components

UPF0200 protein SSO1041

Keywords

structural genomics / unknown function / ADENYLATE / KINASE / SULFOLOBUS / SOLFATARICUS / PSI-2 / PROTEIN STRUCTURE INITIATIVE / MIDWEST CENTER FOR STRUCTURAL GENOMICS / MCSG / ATP-binding / Nucleotide-binding

Function / homology

Nucleoside triphosphate hydrolase-related / AAA domain / P-loop containing nucleotide triphosphate hydrolases / Rossmann fold / P-loop containing nucleoside triphosphate hydrolase / 3-Layer(aba) Sandwich / ATP binding / Alpha Beta / UPF0200 protein SSO1041

Function and homology information

Biological species

Sulfolobus solfataricus (archaea)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 3.25 Å

Authors

Stein, A.J. / Sather, A. / Abdullah, J. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)

Citation

Journal: To be Published
Title: Crystal structure of an adenylated kinase related protein from sulfolobus solfataricus to 3.25a
Authors: Stein, A.J. / Sather, A. / Abdullah, J. / Joachimiak, A.

History

Deposition	Apr 9, 2009	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 21, 2009	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Refinement description / Version format compliance
Revision 1.2	Nov 1, 2017	Group: Refinement description / Category: software
Revision 1.3	Feb 21, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / 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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Download

PDBx/mmCIF format	3h0k.cif.gz	79.1 KB	Display	PDBx/mmCIF format
PDB format	pdb3h0k.ent.gz	61.6 KB	Display	PDB format
PDBx/mmJSON format	3h0k.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	3h0k_validation.pdf.gz	447.5 KB	Display	wwPDB validaton report
Full document	3h0k_full_validation.pdf.gz	456.7 KB	Display
Data in XML	3h0k_validation.xml.gz	14.4 KB	Display
Data in CIF	3h0k_validation.cif.gz	18.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/h0/3h0k ftp://data.pdbj.org/pub/pdb/validation_reports/h0/3h0k	HTTPS FTP

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Related structure data

Similar structure data	1wmk-2 3lw7-d 6nko-6 1wmk-4 3r0z-d 3dje-1 1wmk-6 1hlm-1 6nko-5 1ka9-d Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetDB: APC89436

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: UPF0200 protein SSO1041

B: UPF0200 protein SSO1041

hetero molecules

41.1 kDa, 2 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)	65.418, 65.418, 205.437
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	96
Space group name H-M	P4₃2₁2

#1: Protein	UPF0200 protein SSO1041 Mass: 20442.738 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Sulfolobus solfataricus (archaea) / Strain: P2 / Gene: SSO1041 / Plasmid: pMCSG7 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q97Z90
#2: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO₄
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 10 / 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: 2.69 Å³/Da / Density % sol: 54.4 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 1.26M AMMONIUM SULFATE, 0.1M CACODYLATE PH 6.5, VAPOR DIFFUSION, TEMPERATURE 277K, VAPOR DIFFUSION, SITTING DROP

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.9794 / Wavelength: 0.9794 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Mar 22, 2009
Radiation	Monochromator: DOUBLE CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9794 Å / Relative weight: 1
Reflection	Resolution: 3.1→50 Å / Num. obs: 8509 / % possible obs: 97.7 % / Redundancy: 9.2 % / R_merge(I) obs: 0.149 / Net I/σ(I): 5.8
Reflection shell	Resolution: 3.1→3.21 Å / Redundancy: 9.5 % / R_merge(I) obs: 0.923 / % possible all: 98.8

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Processing

Software

Name	Version	Classification
ADSC	Quantum	data collection
HKL-3000		phasing
REFMAC	5.5.0054	refinement
HKL-3000		data reduction
DENZO		data reduction
SCALEPACK		data scaling

Refinement

Method to determine structure:

SAD / Resolution: 3.25→47.3 Å / Cor.coef. F_o:F_c: 0.925 / Cor.coef. F_o:F_c free: 0.883 / SU B: 59.755 / SU ML: 0.445 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.576 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.294	354	4.7 %	RANDOM
R_work	0.221	-	-	-
obs	0.225	7566	99.5 %	-

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: 26.9 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.04 Å²	0 Å²	0 Å²
2-	-	0.04 Å²	0 Å²
3-	-	-	-0.09 Å²

Refinement step

Cycle: LAST / Resolution: 3.25→47.3 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	2516	0	10	10	2536

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.011	0.022	2552
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.471	1.989	3452
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.765	5	335
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	34.644	23.263	95
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	21.072	15	428
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	19.368	15	19
X-RAY DIFFRACTION	r_chiral_restr	0.096	0.2	419
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.02	1853
X-RAY DIFFRACTION	r_gen_planes_other
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	0.409	1.5	1678
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	0.788	2	2663
X-RAY DIFFRACTION	r_scbond_it	1.182	3	874
X-RAY DIFFRACTION	r_scangle_it	2.119	4.5	789
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 3.25→3.33 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.295	24	-
R_work	0.262	508	-
obs	-	-	98.89 %

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	1.8235	1.2936	1.4686	1.3142	0.5011	1.9691	-0.0749	0.0866	0.1892	0.1869	0.0178	0.1931	-0.3739	0.2847	0.0571	0.3941	0.0262	0.0208	0.4225	0.0214	0.3621	-22.0617	17.8608	-9.3857
2	3.8046	3.0349	1.7154	7.0438	-0.1266	2.1575	-0.3068	0.0553	0.5516	0.2358	0.1893	-0.1243	-0.8379	0.5795	0.1175	0.5493	-0.241	0.0774	0.5611	-0.1054	0.4475	-16.9874	25.3351	-9.4128
3	2.9951	0.9996	1.2339	1.0912	2.3752	6.8572	-0.0038	-0.2124	0.4606	0.1025	0.0795	-0.0256	-0.6217	0.6253	-0.0756	0.6799	-0.1154	-0.0593	0.5021	-0.0388	0.4297	-17.3413	24.4193	-2.1043
4	7.0335	0.8187	-0.4757	6.7795	2.3544	4.4434	0.2135	-0.5232	-0.2524	1.0241	0.1934	-1.0093	0.6125	1.4579	-0.4069	0.6212	0.1283	-0.2388	0.7948	-0.0369	0.414	-8.9651	10.7089	3.6257
5	4.7173	-2.6951	0.9443	4.6162	0.1036	0.4062	0.383	1.3712	0.0841	-0.809	-0.7913	0.269	-0.118	0.0481	0.4084	0.5028	0.1121	-0.1082	0.9087	-0.1579	0.5875	-5.9957	3.0754	0.0706
6	3.2099	-0.7594	1.8666	5.5696	1.8228	7.1611	0.3868	-0.082	-0.6	0.8744	0.1206	-0.7063	1.2163	0.8871	-0.5074	0.9358	0.1896	-0.2204	0.6375	0.0891	0.5387	-15.6477	0.9414	0.9496
7	4.3153	-1.5779	-1.4066	2.7074	-2.4656	4.7915	-0.2754	-0.6374	0.0062	0.3939	0.2269	-0.1045	0.046	0.2977	0.0485	0.8319	0.0658	-0.134	0.5543	0.0274	0.3409	-20.6037	11.0375	5.438
8	0.4592	0.2293	1.0269	4.4949	0.2609	4.5643	-0.0325	-0.4512	0.306	1.0084	-0.047	0.2719	-0.6019	-0.2705	0.0795	0.8267	-0.0633	0.0748	0.8741	-0.2888	0.6205	-22.4089	24.1953	8.1429
9	3.6167	0.1242	0.4324	0.3001	1.4434	7.1189	0.129	-0.1501	0.1307	0.0472	-0.0104	-0.018	-0.0358	0.3842	-0.1186	0.4832	-0.0192	0.0336	0.4022	0.0683	0.3282	-22.6652	15.4558	-3.7989
10	4.9395	-4.2798	2.2204	6.5832	1.2459	5.5983	-0.0934	-0.2879	-0.5761	1.075	0.0081	0.2937	0.8674	-0.3687	0.0853	0.5831	-0.0271	0.0335	0.4254	0.0811	0.4299	-28.2874	11.2243	0.0917
11	1.1739	0.8726	1.4716	3.2694	0.9607	4.8587	0.1405	-0.1182	0.3207	0.2915	-0.0933	0.4181	-0.6491	-0.4489	-0.0472	0.3532	0.0384	0.0482	0.3886	0.0409	0.3109	-27.3677	17.0014	-7.217
12	7.4343	1.4681	2.3884	8.461	1.7521	8.5381	-0.3351	0.7316	0.0505	-0.4201	0.6637	-0.4826	-0.6602	1.4847	-0.3286	0.3354	-0.1437	0.0716	0.8181	-0.0385	0.3938	-12.6116	14.2603	-23.9447
13	9.5451	5.5548	3.4759	4.2708	2.5504	2.7049	-0.1127	0.4081	-0.1003	0.1738	0.6746	-0.9806	-0.5844	1.6751	-0.5619	0.6547	-0.4704	-0.0393	1.7605	-0.3427	0.9092	-3.306	15.9735	-18.839
14	9.6853	3.6092	2.7695	6.6445	2.9465	4.2127	-0.0389	0.7789	-0.8068	-0.0337	0.7275	-1.8135	0.2193	2.3467	-0.6886	0.506	0.1401	0.0197	1.5287	-0.192	0.8213	-7.0171	5.4854	-21.4401
15	13.6779	4.0967	-3.3378	11.915	-2.4697	13.4347	0.1791	0.2414	-1.3595	0.5029	0.4679	-0.7941	0.964	1.6262	-0.647	0.5589	0.1869	-0.0644	0.7797	-0.1011	0.6445	-13.7322	2.7224	-16.147
16	7.7681	-1.0785	1.3257	6.4468	0.7592	7.2318	0.0535	-0.1397	-0.5709	0.549	0.1133	-0.1224	0.723	0.4535	-0.1668	0.464	0.0401	0.0071	0.4771	0.0442	0.4248	-23.6431	6.522	-12.1595
17	4.2261	3.203	0.2967	8.7311	-0.4584	5.3253	-0.041	-0.0459	0.7574	0.1868	-0.0719	0.5758	-0.8694	-0.2116	0.1128	0.4606	0.0577	-0.0116	0.4477	0.0759	0.4929	-29.4126	18.9799	-14.352
18	2.1389	0.5157	1.628	1.2444	0.9251	8.3438	-0.6815	0.8336	1.1284	-0.912	0.6709	-0.1483	-2.104	1.749	0.0106	1.1272	-0.4728	-0.0005	0.9669	0.1529	0.8231	-17.3634	25.6028	-22.6425
19	6.761	0.5531	-1.369	2.55	1.5498	6.2574	-0.4399	0.6489	0.8764	-0.8064	0.3109	0.204	-1.5688	0.681	0.129	0.8619	-0.1944	-0.0758	0.4678	0.175	0.5942	-21.1937	30.0926	-19.5578
20	2.8078	1.3191	0.5556	4.4516	1.7493	4.9615	-0.2154	-0.3685	1.0199	0.0901	-0.2071	1.021	-1.4282	-0.4233	0.4225	0.8368	0.0975	-0.0427	0.4579	0.0088	0.8036	-29.353	30.0805	-10.6172
21	1.6035	-0.6668	-4.0412	0.3977	1.5209	15.1259	0.1151	0.2372	-0.0109	-0.2429	-0.0758	0.0752	-0.7167	0.6334	-0.0393	0.4277	-0.1341	-0.0606	0.6025	0.0652	0.2705	-28.9633	8.788	-35.1214
22	4.6499	0.2091	2.9273	1.6412	1.6037	7.673	-0.2417	0.4546	0.4136	-0.2988	-0.1343	0.7066	-0.3361	-0.8249	0.376	0.2973	0.0308	-0.0366	0.5455	0.0619	0.5079	-38.578	11.3855	-23.3418
23	4.7046	1.6474	0.1648	4.3865	2.0413	6.323	-0.3928	0.5257	0.5785	-0.6527	0.0869	0.7004	-1.0142	-0.6102	0.3059	0.5273	0.0206	-0.2487	0.7001	0.1714	0.4755	-39.5749	15.477	-35.6434
24	3.4265	-0.0559	1.4144	4.0969	3.9133	4.3703	-0.1424	0.4017	-0.0202	-0.222	-0.2799	0.3426	-0.3097	-0.2442	0.4223	0.2686	-0.1036	-0.1419	0.6932	0.04	0.3115	-38.5015	5.1149	-35.4622
25	6.3009	-0.9328	2.7191	6.1144	-2.7206	4.8455	-0.0728	0.5905	-0.2687	0.0165	-0.0819	0.6761	0.6036	-1.0693	0.1547	0.4833	-0.2413	-0.0264	0.7952	-0.1225	0.5788	-42.6679	-4.8236	-31.104
26	1.0499	0.9815	-1.2445	0.9956	-0.8867	4.2131	-0.6354	0.5861	-0.0905	-0.6459	0.7589	-0.2795	0.5405	0.435	-0.1235	0.6628	-0.4011	0.0425	0.8789	-0.1889	0.657	-46.0383	-13.086	-27.2513
27	5.1761	-0.2089	-0.4333	1.0061	2.263	7.4105	0.2046	-0.0209	-0.42	0.5897	-0.2358	0.435	1.3325	-1.0688	0.0312	0.7577	-0.273	0.0703	0.6363	0.0055	0.7305	-40.865	-8.6699	-20.9563
28	5.2236	1.1126	1.8003	5.0505	0.7743	3.8431	0.1179	0.238	-0.8654	0.4235	0.0941	-0.176	1.2995	0.001	-0.2119	0.6656	-0.0745	-0.02	0.4393	-0.0945	0.5563	-32.1524	-10.3211	-25.6551
29	3.9451	1.7702	0.5971	3.909	-0.0025	8.6309	-0.1534	1.1692	-0.382	-0.6531	0.2443	0.2452	0.6876	-0.1929	-0.091	0.4505	-0.1251	-0.0283	0.6662	-0.1393	0.3913	-33.7882	-4.5011	-36.7482
30	2.5657	1.9031	1.7831	3.7914	-0.6994	4.5897	-0.273	0.8802	0.027	-0.7037	0.2724	0.2524	0.2344	0.0937	0.0006	0.4376	-0.022	-0.0327	0.8214	-0.0106	0.3903	-31.6304	3.4831	-35.3243
31	3.5536	-0.138	-1.9146	4.2152	3.3308	9.691	-0.1735	0.829	-0.7959	-0.1119	0.4165	-0.2066	0.7291	0.4401	-0.243	0.3996	0.0018	0.0053	0.6294	-0.1091	0.4109	-25.1359	-1.4593	-31.0438
32	2.0283	2.3459	0.6877	4.5038	-1.5364	4.7386	-0.3225	0.818	-0.0257	-0.6169	0.4809	-0.2857	-0.4686	0.6426	-0.1585	0.4816	-0.018	0.1331	0.8155	0.0309	0.4336	-24.8108	6.6837	-33.7641
33	4.2826	0.2643	1.2607	3.0498	1.2843	5.1596	-0.1671	-0.1636	0.4271	0.0868	-0.1601	0.7274	-0.3826	-0.8257	0.3272	0.3491	0.0926	0.0242	0.5094	0.0334	0.551	-37.7536	15.7511	-15.1999
34	3.6312	-4.0306	3.3624	6.6354	-1.0331	7.3054	-0.1291	-0.2303	0.3657	-0.24	-0.438	0.4486	-0.4302	-1.2784	0.5671	0.3615	0.0773	0.0132	0.8183	-0.043	1.0689	-46.7373	14.4937	-14.5236
35	1.2169	1.0744	0.7682	1.0046	1.0435	6.6554	0.2429	-0.5424	0.4901	0.3783	-0.5978	0.5763	0.5688	-1.8226	0.3549	0.464	-0.1424	0.295	0.8659	-0.0498	0.8005	-45.702	6.2719	-8.5269
36	14.3805	3.7835	-5.2037	15.2214	-2.4275	11.9804	0.1805	-0.53	0.1883	0.6084	-0.1958	0.5835	0.6255	-0.8076	0.0153	0.4605	-0.1103	0.1302	0.58	0.0063	0.5008	-39.7664	3.3082	-10.7921
37	3.5465	-4.3692	0.6662	6.5039	0.3562	1.3993	0.0821	0.0523	-0.6936	0.4561	-0.1558	0.9023	0.3834	-0.3995	0.0737	0.4761	-0.1035	0.0399	0.6133	0.0449	0.4689	-34.0528	0.469	-15.3212
38	6.05	0.5714	0.4432	3.2556	1.1036	5.8534	-0.2427	0.3819	0.286	-0.1388	0.2165	0.2187	-0.3832	-0.0272	0.0262	0.3166	-0.0173	-0.0111	0.4212	0.0797	0.3281	-28.5432	12.8589	-22.3366
39	3.9284	0.1179	-0.7856	2.8198	1.2595	5.3092	-0.568	0.6312	0.8965	-0.8007	0.0024	0.7407	-1.3221	-0.5108	0.5656	0.912	0.1411	-0.2552	0.7315	0.2089	0.8729	-37.447	24.6058	-27.7978
40	8.0609	0.7535	-8.1181	1.2248	0.8114	10.3316	0.0297	0.887	0.5021	-0.9105	0.6284	0.1237	-1.4638	0.2312	-0.6581	1.0003	-0.292	-0.0333	1.0163	0.2057	0.5444	-27.344	19.655	-35.1548

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	9 - 20
2	X-RAY DIFFRACTION	2	A	21 - 29
3	X-RAY DIFFRACTION	3	A	30 - 39
4	X-RAY DIFFRACTION	4	A	40 - 48
5	X-RAY DIFFRACTION	5	A	49 - 56
6	X-RAY DIFFRACTION	6	A	57 - 70
7	X-RAY DIFFRACTION	7	A	71 - 78
8	X-RAY DIFFRACTION	8	A	79 - 86
9	X-RAY DIFFRACTION	9	A	87 - 97
10	X-RAY DIFFRACTION	10	A	98 - 103
11	X-RAY DIFFRACTION	11	A	104 - 119
12	X-RAY DIFFRACTION	12	A	120 - 125
13	X-RAY DIFFRACTION	13	A	126 - 130
14	X-RAY DIFFRACTION	14	A	135 - 142
15	X-RAY DIFFRACTION	15	A	143 - 147
16	X-RAY DIFFRACTION	16	A	148 - 158
17	X-RAY DIFFRACTION	17	A	159 - 165
18	X-RAY DIFFRACTION	18	A	166 - 170
19	X-RAY DIFFRACTION	19	A	171 - 176
20	X-RAY DIFFRACTION	20	A	177 - 185
21	X-RAY DIFFRACTION	21	B	9 - 13
22	X-RAY DIFFRACTION	22	B	14 - 23
23	X-RAY DIFFRACTION	23	B	24 - 31
24	X-RAY DIFFRACTION	24	B	32 - 39
25	X-RAY DIFFRACTION	25	B	40 - 45
26	X-RAY DIFFRACTION	26	B	46 - 52
27	X-RAY DIFFRACTION	27	B	53 - 64
28	X-RAY DIFFRACTION	28	B	65 - 72
29	X-RAY DIFFRACTION	29	B	73 - 81
30	X-RAY DIFFRACTION	30	B	82 - 97
31	X-RAY DIFFRACTION	31	B	98 - 104
32	X-RAY DIFFRACTION	32	B	105 - 114
33	X-RAY DIFFRACTION	33	B	115 - 122
34	X-RAY DIFFRACTION	34	B	123 - 128
35	X-RAY DIFFRACTION	35	B	137 - 142
36	X-RAY DIFFRACTION	36	B	143 - 146
37	X-RAY DIFFRACTION	37	B	147 - 152
38	X-RAY DIFFRACTION	38	B	153 - 167
39	X-RAY DIFFRACTION	39	B	168 - 178
40	X-RAY DIFFRACTION	40	B	179 - 185

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