PDB-5a49: Crystal structure of the LOTUS domain (aa 139-222) of Drosophila ...

ID or keywords:

Entry

Database: PDB / ID: 5a49

Title

Crystal structure of the LOTUS domain (aa 139-222) of Drosophila Oskar in C222

Components

MATERNAL EFFECT PROTEIN OSKAR

Keywords

PROTEIN BINDING / OST-HTH DOMAIN / DIMER / WINGED HELIX-TURN-HELIX / VASA / PROTEIN BINDING INTERACTION / GERM PLASM

Function / homology

Function and homology information

posterior abdomen determination / pole plasm mRNA localization / regulation of oskar mRNA translation / P granule assembly / pole plasm protein localization / oocyte microtubule cytoskeleton polarization / pole plasm / posterior cell cortex / thermosensory behavior / pole plasm assembly ...
Similarity search - Function

Biological species

DROSOPHILA MELANOGASTER (fruit fly)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.098 Å

Authors

Jeske, M. / Glatt, S. / Ephrussi, A. / Mueller, C.W.

Citation

Journal: Cell Rep. / Year: 2015
Title: The Crystal Structure of the Drosophila Germline Inducer Oskar Identifies Two Domains with Distinct Vasa Helicase-and RNA-Binding Activities.
Authors: Jeske, M. / Bordi, M. / Glatt, S. / Muller, S. / Rybin, V. / Muller, C.W. / Ephrussi, A.

History

Deposition	Jun 5, 2015	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jul 22, 2015	Provider: repository / Type: Initial release
Revision 1.1	Jul 29, 2015	Group: Database references
Revision 1.2	Aug 12, 2015	Group: Database references
Revision 1.3	May 8, 2024	Group: Data collection / Database references / Other Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	5a49_validation.pdf.gz	497.5 KB	Display	wwPDB validaton report
Full document	5a49_full_validation.pdf.gz	502 KB	Display
Data in XML	5a49_validation.xml.gz	26.6 KB	Display
Data in CIF	5a49_validation.cif.gz	38.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/a4/5a49 ftp://data.pdbj.org/pub/pdb/validation_reports/a4/5a49	HTTPS FTP

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Related structure data

Related structure data	5a48C 5a4aC C: citing same article (ref.)
Similar structure data	5cd7-2 5qmw-2 3zc4-5 137l-2 5cd8-1 2ijy-d 5qoa-2 2b5s-4 2ou8-d 6ulq-2 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) 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

Related structure data

5a48C

5a4aC

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: MATERNAL EFFECT PROTEIN OSKAR

B: MATERNAL EFFECT PROTEIN OSKAR

C: MATERNAL EFFECT PROTEIN OSKAR

D: MATERNAL EFFECT PROTEIN OSKAR

E: MATERNAL EFFECT PROTEIN OSKAR

F: MATERNAL EFFECT PROTEIN OSKAR

G: MATERNAL EFFECT PROTEIN OSKAR

H: MATERNAL EFFECT PROTEIN OSKAR

I: MATERNAL EFFECT PROTEIN OSKAR

J: MATERNAL EFFECT PROTEIN OSKAR

98.4 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

H: MATERNAL EFFECT PROTEIN OSKAR

I: MATERNAL EFFECT PROTEIN OSKAR

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

2

B: MATERNAL EFFECT PROTEIN OSKAR

C: MATERNAL EFFECT PROTEIN OSKAR

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

3

F: MATERNAL EFFECT PROTEIN OSKAR

G: MATERNAL EFFECT PROTEIN OSKAR

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

4

D: MATERNAL EFFECT PROTEIN OSKAR

E: MATERNAL EFFECT PROTEIN OSKAR

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

5

A: MATERNAL EFFECT PROTEIN OSKAR

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

6

J: MATERNAL EFFECT PROTEIN OSKAR

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

Unit cell

Length a, b, c (Å)	134.060, 198.630, 89.120
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	21
Space group name H-M	C222

#1: Protein	MATERNAL EFFECT PROTEIN OSKAR / OSKAR Mass: 9835.063 Da / Num. of mol.: 10 / Fragment: LOTUS DOMAIN, RESIDUES 139-222 Source method: isolated from a genetically manipulated source Source: (gene. exp.) DROSOPHILA MELANOGASTER (fruit fly) / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P25158
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 193 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 3.02 Å³/Da / Density % sol: 59.22 % / Description: NONE

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 1.00265
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.00265 Å / Relative weight: 1
Reflection	Resolution: 2.1→50 Å / Num. obs: 69144 / % possible obs: 99.1 % / Observed criterion σ(I): 1.59 / Redundancy: 4.5 % / B_iso Wilson estimate: 51.65 Å² / R_merge(I) obs: 0.06 / Net I/σ(I): 15.1

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Processing

Software

Name: PHENIX / Version: (PHENIX.REFINE) / Classification: refinement

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.098→41.359 Å / SU ML: 0.26 / σ(F): 1.35 / Phase error: 23.54 / Stereochemistry target values: ML
Details: THE OCCUPANCY OF SIDE CHAIN ATOMS, FOR WHICH ELECTRON DENSITY WAS POOR, IS SET TO 0.

	R_factor	Num. reflection	% reflection
R_free	0.2148	2295	3.3 %
R_work	0.1938	-	-
obs	0.1945	69144	99.07 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 2.098→41.359 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5780	0	0	193	5973

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.004	5880
X-RAY DIFFRACTION	f_angle_d	0.742	7967
X-RAY DIFFRACTION	f_dihedral_angle_d	12.943	2206
X-RAY DIFFRACTION	f_chiral_restr	0.055	939
X-RAY DIFFRACTION	f_plane_restr	0.003	1028

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.0982-2.1438	0.3375	132	0.2978	3837	X-RAY DIFFRACTION	92
2.1438-2.1937	0.3212	143	0.2776	4169	X-RAY DIFFRACTION	100
2.1937-2.2485	0.3263	140	0.2706	4123	X-RAY DIFFRACTION	100
2.2485-2.3093	0.2811	145	0.2663	4200	X-RAY DIFFRACTION	100
2.3093-2.3773	0.3007	143	0.2369	4143	X-RAY DIFFRACTION	100
2.3773-2.454	0.3167	143	0.2284	4174	X-RAY DIFFRACTION	100
2.454-2.5417	0.2592	144	0.2188	4194	X-RAY DIFFRACTION	100
2.5417-2.6434	0.2288	143	0.1988	4148	X-RAY DIFFRACTION	100
2.6434-2.7637	0.2315	144	0.2163	4206	X-RAY DIFFRACTION	100
2.7637-2.9094	0.2063	144	0.2077	4191	X-RAY DIFFRACTION	100
2.9094-3.0916	0.2417	144	0.2052	4191	X-RAY DIFFRACTION	100
3.0916-3.3302	0.1883	145	0.1937	4217	X-RAY DIFFRACTION	100
3.3302-3.6652	0.227	145	0.189	4209	X-RAY DIFFRACTION	100
3.6652-4.1951	0.2107	144	0.1861	4216	X-RAY DIFFRACTION	99
4.1951-5.2837	0.1911	147	0.1592	4257	X-RAY DIFFRACTION	99
5.2837-41.3665	0.1788	149	0.1843	4374	X-RAY DIFFRACTION	98

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	8.3441	-3.358	0.0166	2.0327	6.4316	3.64	0.2793	-1.177	1.1437	-0.1833	-0.2664	0.3285	-0.3998	-0.5206	0.0768	0.988	0.0993	0.1478	0.7626	-0.2171	0.7267	-33.9242	-17.9748	39.7035
2	6.503	-4.6929	0.1824	2.0298	1.7351	6.7019	0.0611	-1.003	0.0145	-0.139	0.3781	-0.0616	0.4995	0.4399	-0.4456	0.5573	-0.0498	0.0692	0.7034	0.0596	0.3666	-28.0976	-34.3188	41.9596
3	4.4318	-1.0102	-0.721	2.5037	-0.972	2.0944	-0.0603	-0.4341	0.1395	-0.1265	0.288	0.5108	0.5299	-1.2292	-0.2269	0.4524	-0.0469	0.017	0.7395	0.0514	0.4144	-38.0862	-30.4687	38.624
4	7.923	-1.3661	-1.2348	2.1375	7.0578	9.2745	-0.2046	-0.086	0.4297	-0.1272	0.4116	-0.3613	0.504	0.3677	-0.1832	0.417	-0.0027	0.0673	0.4525	0.0563	0.3637	-25.1947	-29.4408	33.0331
5	2.1142	2.5147	3.7993	5.9133	-1.7336	5.2326	-0.0003	0.2779	-1.164	-0.7233	0.2629	-0.5649	1.1334	0.0539	-0.2122	0.6644	0.0342	0.1255	0.5406	0.0047	0.4717	-25.2493	-39.1301	31.3147
6	5.4663	4.0612	1.3487	2.1173	-0.6464	8.8816	0.3335	0.8604	-0.5603	-0.758	0.0489	0.487	2.1242	-1.0229	-0.272	1.0232	-0.0783	-0.0259	0.6101	-0.0594	0.6021	-25.9031	-36.2857	9.8701
7	2.1814	1.3262	8.1953	9.9819	1.9837	2.1438	0.0353	-0.0193	-0.6659	-0.54	-0.1203	-0.384	0.8416	0.7257	0.1744	0.5584	0.1338	0.2235	0.489	0.0187	0.4317	-13.3963	-36.8706	18.0745
8	4.7209	0.4264	-2.3574	8.9934	4.1616	2.1184	0.0467	-0.1499	0.1481	-0.4312	-0.2062	-0.563	-0.2778	0.8583	0.1697	0.3578	0.1236	0.1234	0.3978	0.0942	0.4163	-11.3661	-28.8967	17.951
9	9.8704	-5.5731	-2.5708	8.2489	3.2758	5.1737	0.3466	0.68	0.8172	-0.0772	-0.0823	0.3454	-0.3507	-1.0547	-0.2255	0.5043	0.1707	0.0493	0.5289	0.0511	0.4235	-21.3848	-26.952	11.9921
10	5.3905	0.1291	0.7618	7.4363	2.1179	2.2011	0.2685	-0.4757	0.2598	0.2361	-0.0316	0.1022	0.3995	-0.5476	-0.2971	0.4386	0.0741	0.1234	0.4635	0.0419	0.3429	-22.0288	-34.125	24.1914
11	2.0054	-0.3654	1.9878	2.0091	0.289	2.0043	0.3814	-0.7244	0.7454	0.642	-1.1323	-0.8541	-1.9662	0.7115	0.6921	0.8552	-0.0032	-0.023	0.7694	-0.1293	0.7931	-15.7535	-22.7403	34.37
12	2.1469	4.4663	-3.8424	1.9737	-1.0526	2.077	0.1361	-1.4803	-0.2333	0.3272	0.1702	-0.4116	0.4279	0.3174	-0.357	0.6225	0.1224	0.0256	0.6319	0.0592	0.385	-16.3741	-33.9368	27.8531
13	8.2821	0.171	2.8904	2.0102	-1.4897	7.9746	-0.3493	2.2971	0.6529	-1.919	1.3038	0.155	0.2195	-0.0968	-0.9163	0.9779	-0.1712	-0.0164	1.021	0.0966	0.7019	-32.8332	-5.5898	-27.1586
14	8.7555	0.0965	5.764	7.1514	-5.0259	2.0457	-0.3574	0.9218	0.6368	-0.0832	-0.1795	-0.6662	-0.8555	0.7351	0.4883	0.5467	-0.064	0.0675	0.3962	0.0589	0.53	-27.1625	-1.3947	-15.4376
15	8.5072	-2.0283	4.2763	4.1075	-3.3567	8.7016	-0.5047	-0.5875	-0.1034	1.0331	0.3275	0.5199	-0.0604	-0.5038	0.1693	0.649	-0.0856	0.1147	0.3028	-0.023	0.5729	-32.5156	-4.5104	-9.1161
16	8.6419	0.4607	0.248	6.2508	1.132	2.0553	-0.2817	1.1427	-0.6474	0.1829	0.2783	0.1396	0.1792	0.143	0.0748	0.4709	-0.1217	0.0958	0.453	-0.0683	0.6731	-29.126	-11.1698	-17.0943
17	9.2075	-7.517	1.6415	6.3538	-1.6323	0.6793	0.2709	-0.7003	-0.6712	-0.3604	0.1182	1.6353	0.4779	-0.1302	-0.2886	1.534	-0.0666	0.0039	0.5718	0.1041	0.7918	-25.5053	-18.1297	-0.8229
18	7.1432	-1.0609	2.9446	8.8237	7.9851	9.3632	-1.0969	-0.0795	-0.3409	1.6373	0.8792	-1.4034	0.7646	1.3551	0.1425	0.6364	0.0712	-0.0878	0.5383	0.0705	0.8574	-21.8869	-9.9479	-10.4638
19	1.9987	-7.8113	4.8243	2.1379	-2.6259	7.1158	-0.4878	-1.5407	-1.6607	0.3818	0.6146	1.8347	-0.0671	-1.7727	-0.1898	0.5063	0.0642	0.0665	0.761	0.1644	0.8537	-23.1328	-36.6674	-7.7653
20	2.123	5.3126	-1.6685	2.1739	-1.3352	5.5991	-0.2639	-1.2478	0.1694	0.6729	-0.1282	-0.6927	-0.396	0.5812	0.4109	0.582	0.0631	-0.1301	0.7346	0.0451	0.5869	-11.8565	-27.7026	-8.636
21	2.1008	-1.1008	-1.038	2.4557	-1.2647	2.2351	-0.6762	-0.5633	1.1735	0.6691	0.9985	-1.303	-1.2114	0.388	-0.28	0.699	0.0873	-0.1963	0.4893	-0.102	1.0138	-7.9715	-18.9753	-15.4057
22	2.2206	-5.2093	3.2032	9.1318	-1.9995	5.4527	0.4837	0.769	-0.3795	-0.4743	-0.4399	0.0566	0.0592	-0.0792	-0.0805	0.3253	0.0219	-0.0346	0.5254	0.002	0.3582	-15.4384	-32.9494	-17.6322
23	2.3303	5.4922	-0.7037	2.1708	-0.2915	5.3434	0.3551	0.2011	0.8189	0.9735	-0.3888	0.1388	-0.6309	0.1859	0.0344	0.5017	0.0985	-0.0705	0.4913	-0.0212	0.4833	-20.5727	-21.2481	-11.0123
24	9.7719	2.3429	-5.4927	4.7394	-7.1602	2.0005	0.7839	0.5716	1.9321	-0.4012	0.3069	-1.8335	-1.9865	3.6576	-1.015	0.6968	-0.4717	0.6533	2.5805	1.9395	0.8711	-14.174	-11.7252	-22.6747
25	2.0726	4.9778	7.1959	8.0881	3.1971	7.0337	0.2126	0.3668	1.6408	-0.328	-0.2392	-1.3145	-0.7597	0.1993	0.1205	0.3798	0.0683	0.1099	0.5404	0.1034	0.655	-15.4982	-18.8199	-14.158
26	2.896	2.0707	5.0678	8.5322	3.0695	8.8696	0.3995	-0.1127	0.4623	0.4363	-0.482	-1.5395	-0.4252	0.694	0.0951	0.6473	-0.2276	-0.0111	0.7211	-0.0367	0.8078	-40.5209	-25.4005	-4.7192
27	4.4569	3.4941	6.0161	2.1357	3.0104	9.9427	-0.1578	0.334	1.4799	0.1693	-0.4419	0.0628	0.0309	-0.0325	0.4609	0.3797	-0.0471	0.175	0.4247	0.0733	0.619	-50.5704	-25.7508	-14.8064
28	8.4665	-7.6323	5.179	1.9943	1.873	2.0319	1.6715	0.2402	-1.0546	-1.2847	-1.044	0.0232	-0.2038	-1.3393	-0.707	0.7198	0.0519	-0.0705	0.6959	0.1187	0.7869	-51.5979	-23.2621	-26.2265
29	5.7006	-0.6632	-0.9572	7.9803	0.9025	4.7244	0.2839	0.0129	1.4823	0.3887	0.0624	0.1684	-0.5368	0.1009	-0.3616	0.4265	-0.095	0.1994	0.3617	0.0168	0.7297	-43.9669	-21.2599	-16.2746
30	9.2452	-1.1751	-0.4131	4.8405	2.5684	8.7704	-0.1196	1.9275	1.1155	-1.7619	-0.0311	-0.1407	-0.3628	-0.5296	0.1653	0.5458	-0.0208	0.1142	0.6577	0.1943	0.5974	-44.6074	-25.4737	-28.3485
31	8.218	2.4699	2.6608	2.0412	3.4467	5.7815	-0.0569	0.1983	1.1088	0.7806	-0.8928	-0.2846	-0.6313	1.043	0.9157	0.9248	-0.2748	0.0023	0.8838	0.1712	0.8715	-21.2715	-21.4669	-35.1749
32	7.8434	3.2765	5.2664	6.5063	4.5515	6.0362	0.361	0.953	-0.1372	0.3322	-0.0708	-0.3462	0.008	0.2598	-0.2899	0.5068	0.071	0.063	0.5573	0.0218	0.2662	-28.992	-33.2118	-37.3188
33	9.9939	2.7068	-4.8805	2.0161	5.771	6.5147	-0.4484	0.7414	-0.8017	-0.389	0.1754	2.1192	1.8399	-0.5623	0.0742	0.8236	-0.0809	-0.0651	0.4921	0.0339	0.8316	-35.5074	-40.6955	-31.5695
34	2.0919	7.2515	-8.2553	7.836	-2.0634	2.1045	-0.4908	-0.2385	-1.3245	0.2877	-0.1829	-1.3856	1.2775	1.3269	0.5227	0.6138	0.2518	0.0133	0.8953	0.0643	0.4847	-22.8449	-37.7643	-31.3053
35	2.1679	-7.985	-9.5439	9.0442	5.3709	2.0915	-0.0268	0.8939	0.5349	0.5493	-0.0789	-1.0658	0.6786	0.7916	0.0885	0.4307	0.1101	-0.0416	0.9671	-0.0612	0.5168	-20.1263	-29.3538	-27.9134
36	6.3759	-1.8207	1.8894	6.4648	0.0258	5.5028	0.1393	0.056	0.1508	0.4744	-0.0391	0.508	0.1876	-1.078	-0.1305	0.3188	-0.0016	0.078	0.4742	0.0226	0.281	-34.8723	-28.0009	-29.2158
37	-0.001	0.0025	-0.0016	-0.005	-0.0026	-0.0022	0.2306	-0.5076	-0.5554	0.0069	-0.1385	0.093	0.2504	0.1382	-0.0609	2.1147	-0.5081	-0.4061	0.9517	0.8335	0.4497	-38.3734	-40.3432	-19.0415
38	6.4273	-3.5564	5.0072	6.7332	-1.1473	8.633	-0.2744	-0.325	-1.0123	0.5744	0.4169	1.121	0.1452	-1.7057	-0.0703	0.4119	-0.1143	0.1514	0.5713	0.0231	0.4582	-38.5843	-33.6819	-31.0513
39	6.1157	2.109	6.1877	4.8071	4.5136	7.6127	0.7079	-0.1088	-0.9666	0.3807	0.0659	-0.3926	0.6075	0.0384	-0.8215	0.6782	-0.1623	0.1562	0.7283	-0.0096	1.155	-12.1291	-52.178	13.1472
40	6.112	1.7827	-5.8535	9.0904	-5.9324	2.1923	0.4616	-0.2918	0.1179	0.7146	-0.1103	0.3727	-0.5166	-0.2167	-0.2763	0.3992	0.0592	0.1055	0.3771	-0.0039	0.2987	-5.5245	-39.8341	15.328
41	8.756	2.3411	-3.8045	9.0075	-4.1292	9.9952	-0.2388	-0.9377	0.0841	0.7793	-0.0409	-0.2561	-0.6868	0.6797	0.2514	0.3218	0.0415	-0.055	0.3863	-0.0283	0.3029	2.5794	-41.669	16.7617
42	4.6186	0.9475	-2.8581	3.9779	4.0615	2.0221	0.3433	-0.6848	-0.965	1.0612	0.4905	0.1636	1.0045	-0.5608	-0.858	0.5505	0.1075	-0.0129	0.4766	0.1419	0.4299	-1.2605	-52.5512	14.8818
43	9.7151	-3.7612	0.7754	7.7697	-1.8152	6.7459	-0.0557	-0.1961	-0.2293	0.1441	0.3444	0.115	0.0142	-0.2222	-0.2907	0.2218	0.0036	-0.0078	0.2517	-0.0155	0.1624	-3.0544	-42.3195	4.2082
44	9.6424	0.4513	-4.2951	9.207	1.5821	7.6493	-0.1566	0.0333	0.0373	0.1226	0.3631	-0.5593	-0.349	0.6212	-0.216	0.278	0.0033	-0.0668	0.3718	-0.032	0.2158	4.3368	-37.1049	3.9184
45	9.1553	3.01	1.4303	6.315	-1.0318	4.4764	0.3163	-0.531	-0.6298	0.8293	0.0585	-0.6451	0.6128	1.1583	-0.258	1.6638	0.2255	-0.2985	1.234	-0.1465	0.9064	-20.6082	-10.0228	25.5397
46	2.1351	-1.0418	3.7487	5.9961	0.3572	8.244	-0.0905	-0.0017	0.4877	-0.5341	0.0425	-0.1069	0.5539	0.7284	0.1448	0.6926	0.1585	0.077	0.4297	0.0381	0.5826	-26.5771	-6.4442	13.6812
47	2.1764	5.923	-1.8212	5.3287	1.7407	2.2868	-0.2004	1.1209	0.2755	-1.4017	0.1776	-0.5381	-0.3546	-0.2824	0.1782	0.8064	0.115	0.1222	0.4971	0.0695	0.5074	-25.4771	-13.2562	7.5114
48	4.7987	-0.4887	-1.1136	6.8874	-0.5318	4.8446	-0.1136	-0.4442	-0.0265	-0.2719	0.1015	-0.2223	0.1815	0.4456	0.0038	0.4869	0.1236	0.0999	0.3591	0.031	0.3956	-28.9963	-15.5349	17.3608
49	2.0012	0.4561	2.0119	7.4521	3.8488	2.0026	-0.6265	2.3134	-2.4633	-1.0435	-0.5914	0.4798	0.7332	-0.2745	0.9706	1.0687	0.0862	-0.0924	0.7769	-0.2996	0.8261	-38.8348	-24.9713	5.1381
50	7.3019	-9.3508	0.6603	2.0433	-1.4198	6.9439	0.1563	0.1772	-0.4761	-1.0713	-0.1382	2.1075	-0.4125	-0.7661	0.0997	0.5913	0.1264	-0.1342	0.5069	-0.1096	0.7142	-38.2507	-12.9564	11.7044
51	3.3377	-0.175	3.5254	4.2023	-0.7209	6.2276	-0.3353	0.8938	0.3624	-0.3566	0.9144	2.6635	0.0093	-2.6207	-0.5311	0.5594	0.0246	-0.1512	1.6101	0.3554	1.1908	-50.9456	-23.4675	21.9289
52	2.0155	-3.5869	2.1451	3.2914	-0.2627	2.0475	0.0944	-2.382	-0.7111	0.0758	0.2216	1.7049	0.8528	-1.0651	-0.3964	0.704	-0.2651	0.0247	1.1814	0.2215	0.9835	-45.9433	-32.4102	27.1874
53	6.938	-3.4528	2.1613	8.4321	-6.0924	2.2501	0.2855	0.2696	0.1701	-1.2657	0.3368	1.0073	0.5631	-0.9117	-0.6499	0.5829	0.0103	-0.0441	0.629	0.0835	0.4677	-41.3958	-23.4667	16.724
54	2.0488	-1.9694	-0.4069	6.8615	-8.9973	2.0784	0.5303	-1.098	0.4044	0.3716	1.4718	1.1113	-1.722	-1.4964	-2.0798	0.7172	0.1008	0.0162	1.0105	0.0783	0.798	-44.2557	-15.6104	21.8701
55	5.2583	-2.74	-2.8515	9.3176	1.5662	8.4039	-0.02	-1.5621	-1.3675	0.7465	0.3758	-1.6468	0.0071	1.495	-0.3592	0.5105	-0.0104	-0.143	0.9126	-0.031	1.0768	-49.1737	-43.453	-5.1921
56	6.1516	1.4595	-1.8124	2.7553	0.9554	5.6057	-0.196	0.3891	0.1736	-0.5766	0.4361	-0.2876	-0.0728	0.0914	-0.3297	0.347	-0.0811	0.0561	0.329	0.0368	0.3935	-58.2891	-35.4664	-12.7888
57	2.1269	2.2487	0.0773	9.7899	3.0586	7.3579	-0.2538	0.0384	0.2517	0.2351	0.8041	-0.005	-0.5071	0.5201	-0.4725	0.3424	-0.059	0.0915	0.3244	-0.0338	0.3191	-61.918	-34.9652	-1.9268
58	8.9377	-0.841	-3.0046	6.4693	-1.9326	2.1438	0.3049	-0.1018	1.5139	-0.3166	-0.0776	0.9277	-0.9899	-1.5879	-0.2029	0.4639	0.0229	0.0821	0.5794	0.0391	0.581	-69.0773	-30.2989	-6.0205

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN 'B' AND (RESID 147 THROUGH 155 )
2	X-RAY DIFFRACTION	2	CHAIN 'B' AND (RESID 156 THROUGH 173 )
3	X-RAY DIFFRACTION	3	CHAIN 'B' AND (RESID 174 THROUGH 194 )
4	X-RAY DIFFRACTION	4	CHAIN 'B' AND (RESID 195 THROUGH 209 )
5	X-RAY DIFFRACTION	5	CHAIN 'B' AND (RESID 210 THROUGH 220 )
6	X-RAY DIFFRACTION	6	CHAIN 'C' AND (RESID 145 THROUGH 155 )
7	X-RAY DIFFRACTION	7	CHAIN 'C' AND (RESID 156 THROUGH 167 )
8	X-RAY DIFFRACTION	8	CHAIN 'C' AND (RESID 168 THROUGH 185 )
9	X-RAY DIFFRACTION	9	CHAIN 'C' AND (RESID 186 THROUGH 194 )
10	X-RAY DIFFRACTION	10	CHAIN 'C' AND (RESID 195 THROUGH 209 )
11	X-RAY DIFFRACTION	11	CHAIN 'C' AND (RESID 210 THROUGH 214 )
12	X-RAY DIFFRACTION	12	CHAIN 'C' AND (RESID 215 THROUGH 221 )
13	X-RAY DIFFRACTION	13	CHAIN 'F' AND (RESID 147 THROUGH 155 )
14	X-RAY DIFFRACTION	14	CHAIN 'F' AND (RESID 156 THROUGH 166 )
15	X-RAY DIFFRACTION	15	CHAIN 'F' AND (RESID 167 THROUGH 185 )
16	X-RAY DIFFRACTION	16	CHAIN 'F' AND (RESID 186 THROUGH 209 )
17	X-RAY DIFFRACTION	17	CHAIN 'F' AND (RESID 210 THROUGH 214 )
18	X-RAY DIFFRACTION	18	CHAIN 'F' AND (RESID 215 THROUGH 221 )
19	X-RAY DIFFRACTION	19	CHAIN 'G' AND (RESID 147 THROUGH 155 )
20	X-RAY DIFFRACTION	20	CHAIN 'G' AND (RESID 156 THROUGH 167 )
21	X-RAY DIFFRACTION	21	CHAIN 'G' AND (RESID 168 THROUGH 173 )
22	X-RAY DIFFRACTION	22	CHAIN 'G' AND (RESID 174 THROUGH 194 )
23	X-RAY DIFFRACTION	23	CHAIN 'G' AND (RESID 195 THROUGH 209 )
24	X-RAY DIFFRACTION	24	CHAIN 'G' AND (RESID 210 THROUGH 214 )
25	X-RAY DIFFRACTION	25	CHAIN 'G' AND (RESID 215 THROUGH 219 )
26	X-RAY DIFFRACTION	26	CHAIN 'H' AND (RESID 147 THROUGH 155 )
27	X-RAY DIFFRACTION	27	CHAIN 'H' AND (RESID 156 THROUGH 167 )
28	X-RAY DIFFRACTION	28	CHAIN 'H' AND (RESID 168 THROUGH 173 )
29	X-RAY DIFFRACTION	29	CHAIN 'H' AND (RESID 174 THROUGH 209 )
30	X-RAY DIFFRACTION	30	CHAIN 'H' AND (RESID 210 THROUGH 222 )
31	X-RAY DIFFRACTION	31	CHAIN 'I' AND (RESID 148 THROUGH 155 )
32	X-RAY DIFFRACTION	32	CHAIN 'I' AND (RESID 156 THROUGH 167 )
33	X-RAY DIFFRACTION	33	CHAIN 'I' AND (RESID 168 THROUGH 173 )
34	X-RAY DIFFRACTION	34	CHAIN 'I' AND (RESID 174 THROUGH 185 )
35	X-RAY DIFFRACTION	35	CHAIN 'I' AND (RESID 186 THROUGH 194 )
36	X-RAY DIFFRACTION	36	CHAIN 'I' AND (RESID 195 THROUGH 209 )
37	X-RAY DIFFRACTION	37	CHAIN 'I' AND (RESID 210 THROUGH 214 )
38	X-RAY DIFFRACTION	38	CHAIN 'I' AND (RESID 215 THROUGH 222 )
39	X-RAY DIFFRACTION	39	CHAIN 'A' AND (RESID 148 THROUGH 155 )
40	X-RAY DIFFRACTION	40	CHAIN 'A' AND (RESID 156 THROUGH 167 )
41	X-RAY DIFFRACTION	41	CHAIN 'A' AND (RESID 168 THROUGH 185 )
42	X-RAY DIFFRACTION	42	CHAIN 'A' AND (RESID 186 THROUGH 194 )
43	X-RAY DIFFRACTION	43	CHAIN 'A' AND (RESID 195 THROUGH 209 )
44	X-RAY DIFFRACTION	44	CHAIN 'A' AND (RESID 210 THROUGH 222 )
45	X-RAY DIFFRACTION	45	CHAIN 'E' AND (RESID 149 THROUGH 153 )
46	X-RAY DIFFRACTION	46	CHAIN 'E' AND (RESID 154 THROUGH 167 )
47	X-RAY DIFFRACTION	47	CHAIN 'E' AND (RESID 168 THROUGH 185 )
48	X-RAY DIFFRACTION	48	CHAIN 'E' AND (RESID 186 THROUGH 209 )
49	X-RAY DIFFRACTION	49	CHAIN 'E' AND (RESID 210 THROUGH 214 )
50	X-RAY DIFFRACTION	50	CHAIN 'E' AND (RESID 215 THROUGH 222 )
51	X-RAY DIFFRACTION	51	CHAIN 'D' AND (RESID 158 THROUGH 180 )
52	X-RAY DIFFRACTION	52	CHAIN 'D' AND (RESID 181 THROUGH 194 )
53	X-RAY DIFFRACTION	53	CHAIN 'D' AND (RESID 195 THROUGH 209 )
54	X-RAY DIFFRACTION	54	CHAIN 'D' AND (RESID 210 THROUGH 220 )
55	X-RAY DIFFRACTION	55	CHAIN 'J' AND (RESID 146 THROUGH 155 )
56	X-RAY DIFFRACTION	56	CHAIN 'J' AND (RESID 156 THROUGH 194 )
57	X-RAY DIFFRACTION	57	CHAIN 'J' AND (RESID 195 THROUGH 209 )
58	X-RAY DIFFRACTION	58	CHAIN 'J' AND (RESID 210 THROUGH 221 )

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