PDB-5l38: The structure of the hexagonal shell protein MSM0272 from the RMM...

ID or keywords:

Entry

Database: PDB / ID: 5l38

Title

The structure of the hexagonal shell protein MSM0272 from the RMM microcompartment

Components

MSM0272 - RMM microcompartment shell protein

Keywords

STRUCTURAL PROTEIN /

Bacterial microcompartment / hexameric shell protein

Function / homology

Function and homology information

bacterial microcompartment
Similarity search - Function

Biological species

Mycobacterium smegmatis (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.2 Å

Authors

Mallette, E. / Kimber, M.S.

Funding support

Canada, 1items

Citation

Journal: J. Biol. Chem. / Year: 2017
Title: A Complete Structural Inventory of the Mycobacterial Microcompartment Shell Proteins Constrains Models of Global Architecture and Transport.
Authors: Mallette, E. / Kimber, M.S.

History

Deposition	Aug 3, 2016	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 14, 2016	Provider: repository / Type: Initial release
Revision 1.1	Feb 1, 2017	Group: Database references
Revision 1.2	Feb 8, 2017	Group: Database references
Revision 1.3	Sep 27, 2017	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.4	Jan 8, 2020	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5	Oct 4, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _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.ptnr1_symmetry / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_symmetry / _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.ptnr3_symmetry / _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.ptnr1_symmetry / _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_conn.ptnr2_symmetry

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5l38.cif.gz	401.6 KB	Display	PDBx/mmCIF format
PDB format	pdb5l38.ent.gz	333.7 KB	Display	PDB format
PDBx/mmJSON format	5l38.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/l3/5l38 ftp://data.pdbj.org/pub/pdb/validation_reports/l3/5l38	HTTPS FTP

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Related structure data

Related structure data	5l37C 5l39C 5suhC 2qw7S C: citing same article (ref.) S: Starting model for refinement
Similar structure data	4qig-2 4qig-1 4axj-1 4rbv-2 4qie-1 4rbv-3 4p7v-d 3i6p-d 4rbv-1 5d6v-1 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	#114 - Jun 2009 Vaults similarity (4) #165 - Sep 2013 Designed Protein Cages similarity (4)

Deposited unit

A: MSM0272 - RMM microcompartment shell protein

B: MSM0272 - RMM microcompartment shell protein

C: MSM0272 - RMM microcompartment shell protein

D: MSM0272 - RMM microcompartment shell protein

E: MSM0272 - RMM microcompartment shell protein

F: MSM0272 - RMM microcompartment shell protein

G: MSM0272 - RMM microcompartment shell protein

H: MSM0272 - RMM microcompartment shell protein

I: MSM0272 - RMM microcompartment shell protein

J: MSM0272 - RMM microcompartment shell protein

K: MSM0272 - RMM microcompartment shell protein

L: MSM0272 - RMM microcompartment shell protein

hetero molecules

125 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: MSM0272 - RMM microcompartment shell protein

B: MSM0272 - RMM microcompartment shell protein

C: MSM0272 - RMM microcompartment shell protein

D: MSM0272 - RMM microcompartment shell protein

E: MSM0272 - RMM microcompartment shell protein

F: MSM0272 - RMM microcompartment shell protein

hetero molecules

defined by author
62.4 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

G: MSM0272 - RMM microcompartment shell protein

H: MSM0272 - RMM microcompartment shell protein

I: MSM0272 - RMM microcompartment shell protein

J: MSM0272 - RMM microcompartment shell protein

K: MSM0272 - RMM microcompartment shell protein

L: MSM0272 - RMM microcompartment shell protein

hetero molecules

defined by author
62.3 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	93.600, 93.600, 192.540
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	78
Space group name H-M	P4₃

#1: Protein	MSM0272 - RMM microcompartment shell protein / Propanediol utilization protein PduA Mass: 10378.665 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155) (bacteria) Strain: ATCC 700084 / mc(2)155 / Gene: MSMEG_0272, MSMEI_0265 / Production host: Escherichia coli (E. coli) / References: UniProt: A0QP49
#2: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Na
#3: Chemical	ChemComp-CL / CHLORIDE ION / Chloride Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#4: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 925 / 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: 3.39 Å³/Da / Density % sol: 63.67 % / Description: tetragonal prisms
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 0.1 M Tris, 11% ethylene glycol, 10 % PEG 8000, 7mg/ml protein

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: CLSI / Beamline: 08ID-1 / Wavelength: 0.97949 Å
Detector	Type: RAYONIX MX-300 / Detector: CCD / Date: Mar 16, 2014
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97949 Å / Relative weight: 1
Reflection	Resolution: 2.2→50 Å / Num. obs: 83627 / % possible obs: 100 % / Redundancy: 5.1 % / CC_1/2: 0.999 / R_sym value: 0.063 / Net I/σ(I): 18.4
Reflection shell	Resolution: 2.2→2.26 Å / Redundancy: 5.1 % / R_merge(I) obs: 0.745 / Mean I/σ(I) obs: 2.5 / CC_1/2: 0.64 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	1.9_1692	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2QW7

2qw7

Resolution: 2.2→48.135 Å / SU ML: 0.24 / Cross valid method: THROUGHOUT / σ(F): 1.37 / Phase error: 21.43

	R_factor	Num. reflection	% reflection
R_free	0.2332	4182	5 %
R_work	0.2001	-	-
obs	0.2017	83631	99.97 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Refinement step

Cycle: LAST / Resolution: 2.2→48.135 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7393	0	5	925	8323

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.004	7465
X-RAY DIFFRACTION	f_angle_d	0.684	10174
X-RAY DIFFRACTION	f_dihedral_angle_d	11.225	2534
X-RAY DIFFRACTION	f_chiral_restr	0.025	1304
X-RAY DIFFRACTION	f_plane_restr	0.003	1321

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 (%)
2.2-2.225	0.2823	141	0.2666	2660	X-RAY DIFFRACTION	100
2.225-2.2512	0.3021	138	0.2492	2624	X-RAY DIFFRACTION	100
2.2512-2.2786	0.2632	140	0.2414	2672	X-RAY DIFFRACTION	100
2.2786-2.3075	0.317	137	0.2386	2592	X-RAY DIFFRACTION	100
2.3075-2.3378	0.3004	141	0.2381	2678	X-RAY DIFFRACTION	100
2.3378-2.3699	0.2565	138	0.2404	2630	X-RAY DIFFRACTION	100
2.3699-2.4037	0.2854	141	0.2396	2674	X-RAY DIFFRACTION	100
2.4037-2.4396	0.3361	136	0.2175	2595	X-RAY DIFFRACTION	100
2.4396-2.4777	0.2256	140	0.2143	2655	X-RAY DIFFRACTION	100
2.4777-2.5183	0.2384	140	0.2167	2656	X-RAY DIFFRACTION	100
2.5183-2.5618	0.2559	138	0.2187	2624	X-RAY DIFFRACTION	100
2.5618-2.6083	0.2572	141	0.2107	2671	X-RAY DIFFRACTION	100
2.6083-2.6585	0.267	138	0.2143	2638	X-RAY DIFFRACTION	100
2.6585-2.7128	0.2621	139	0.2157	2641	X-RAY DIFFRACTION	100
2.7128-2.7717	0.246	139	0.2095	2629	X-RAY DIFFRACTION	100
2.7717-2.8362	0.27	140	0.2113	2661	X-RAY DIFFRACTION	100
2.8362-2.9071	0.2595	138	0.2081	2634	X-RAY DIFFRACTION	100
2.9071-2.9857	0.2345	139	0.2103	2630	X-RAY DIFFRACTION	100
2.9857-3.0736	0.2125	139	0.2079	2651	X-RAY DIFFRACTION	100
3.0736-3.1727	0.2317	139	0.1941	2634	X-RAY DIFFRACTION	100
3.1727-3.2861	0.2162	140	0.1913	2666	X-RAY DIFFRACTION	100
3.2861-3.4177	0.1878	140	0.1852	2649	X-RAY DIFFRACTION	100
3.4177-3.5732	0.2173	140	0.1819	2664	X-RAY DIFFRACTION	100
3.5732-3.7615	0.2145	139	0.1768	2642	X-RAY DIFFRACTION	100
3.7615-3.997	0.1826	139	0.1792	2649	X-RAY DIFFRACTION	100
3.997-4.3055	0.2314	141	0.1759	2665	X-RAY DIFFRACTION	100
4.3055-4.7384	0.1781	140	0.1757	2656	X-RAY DIFFRACTION	100
4.7384-5.4233	0.2191	139	0.1861	2648	X-RAY DIFFRACTION	100
5.4233-6.8296	0.2472	141	0.1958	2674	X-RAY DIFFRACTION	100
6.8296-48.1465	0.1917	141	0.1742	2687	X-RAY DIFFRACTION	100

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	2.0232	0.2415	0.8422	0.9456	-0.3934	1.2742	0.0126	0.0664	0.0713	0.0525	0.0266	0.0006	-0.0298	-0.0344	0.0832	0.1215	-0.225	-0.1529	0.1113	0.0961	0.224	81.5116	85.1915	106.012
2	1.4524	0.6021	0.4279	1.0349	0.6123	0.6018	0.1093	-0.1145	0.1117	0.0742	0.0089	-0.0658	-0.0238	0.0486	-0.0081	0.0814	-0.1783	-0.0629	0.1187	0.0442	0.1646	87.4738	90.1238	110.6634
3	0.6138	0.2468	0.4419	0.4733	0.1555	0.6889	0.0548	-0.054	-0.0668	0.0387	-0.0088	-0.0051	0.0853	-0.0616	-0.0247	0.1229	-0.1749	-0.1835	0.2235	0.1308	0.1349	77.0346	80.9211	109.2272
4	2.9401	0.9533	-0.3566	5.1588	-1.8466	2.6445	-0.0487	0.3158	0.3156	-0.2603	0.1029	-0.1564	-0.0827	-0.0115	-0.0285	0.1127	-0.1638	-0.0182	0.1586	0.0564	0.2244	86.0834	93.1326	102.0615
5	1.9824	-0.4443	2.0532	1.4456	-1.1113	2.925	0.1012	0.0115	-0.1739	0.09	0.0592	-0.2346	0.116	0.1414	-0.1032	0.1554	-0.0789	-0.1097	0.1485	-0.0106	0.3004	88.4297	80.0648	103.3862
6	4.2349	-0.548	-0.2855	3.7256	-0.4544	4.9977	0.0764	-0.1231	0.2108	0.1914	0.0431	0.265	-0.1812	-0.2522	-0.1863	0.2074	-0.0411	-0.0231	0.1702	0.0919	0.2171	70.74	92.7211	100.0372
7	1.471	0.7587	0.0579	1.6119	-1.18	1.7234	-0.0515	-0.025	0.0904	0.0354	-0.0392	-0.0365	-0.0976	0.0613	0.0674	0.2716	-0.2196	-0.1514	0.2252	0.0999	0.1735	86.6115	73.8962	122.3673
8	0.4906	-0.3501	0.2175	0.276	-0.2063	0.7804	-0.0762	-0.1642	0.093	0.1069	0.0485	-0.0942	-0.1079	0.0841	0.0325	0.2671	-0.1698	-0.265	0.3005	0.0483	0.0953	90.5435	72.2357	131.0716
9	2.0814	0.8455	1.9646	1.6692	1.3044	3.7528	-0.0475	-0.0399	0.067	-0.1096	-0.0304	0.1505	-0.0176	-0.2753	0.0867	0.3627	-0.1927	-0.2117	0.2802	0.132	0.1868	80.6077	74.9243	121.4356
10	2.4657	0.3732	0.9383	2.0045	0.894	1.5936	-0.1333	0.1024	0.1738	0.0084	0.1471	-0.2655	-0.2153	0.3139	-0.0271	0.3075	-0.1809	-0.2492	0.3839	0.0799	0.3103	96.5752	77.2658	125.9168
11	0.9738	1.7945	-0.1809	4.9812	-0.8844	1.5255	0.0291	-0.0128	-0.0181	0.0348	-0.1213	-0.0546	0.168	0.0505	-0.0013	0.3191	-0.155	-0.1164	0.3402	0.0422	0.1624	90.8197	67.2641	119.6773
12	0.9224	1.1445	0.0945	2.2214	0.3887	1.184	-0.3738	-0.0617	0.798	-0.144	0.2015	0.2275	-0.333	-0.2177	0.1968	0.4699	-0.2747	-0.1477	0.5407	0.088	0.4317	86.8616	89.2305	118.1444
13	2.1892	1.2309	0.4002	2.0252	-0.7361	1.53	-0.0655	0.0274	0.0568	0.0405	-0.0109	-0.0534	-0.1037	0.0648	0.0811	0.2556	-0.1913	-0.1069	0.287	0.1933	0.1913	76.195	59.5868	129.4195
14	0.5415	0.2609	-0.2644	1.3443	-0.5285	1.1732	-0.0199	-0.0007	-0.0196	0.0551	0.0486	0.0766	0.0537	-0.0605	-0.0176	0.2364	-0.0834	-0.0139	0.1872	0.2012	0.1866	71.5228	53.7192	134.5569
15	1.1829	0.8393	-0.2916	1.5854	-1.12	2.6595	-0.0473	0.1266	0.0844	-0.0452	0.0758	0.0789	-0.0653	-0.01	-0.019	0.2757	-0.2348	-0.1315	0.3101	0.2185	0.2584	72.8693	64.1732	125.573
16	2.5047	-0.424	1.6108	2.4529	-1.627	5.3624	-0.0142	-0.0809	-0.0412	0.2301	-0.1202	-0.3027	0.2666	0.3302	0.1325	0.2801	-0.0674	-0.0628	0.2466	0.2006	0.2421	80.3467	54.7058	137.0674
17	3.223	1.6981	1.3387	1.6845	0.0485	2.3769	-0.1124	0.2396	-0.05	-0.2768	0.1118	0.0397	0.3362	-0.1105	-0.0346	0.3643	-0.1117	-0.034	0.3039	0.1242	0.1818	78.0906	52.468	124.1558
18	2.4127	0.2134	-0.9349	5.7264	-0.4231	3.5547	-0.1704	-0.1248	0.313	0.3899	0.0224	0.0063	-0.5034	0.0266	0.1642	0.3343	-0.037	-0.1316	0.3703	0.0369	0.2738	83.4185	70.3657	136.2949
19	1.3564	0.532	0.1263	2.7677	-1.6734	2.8334	-0	-0.0531	-0.083	0.046	-0.0688	0.0003	-0.0161	0.07	0.0457	0.3227	-0.281	-0.1055	0.3562	0.1871	0.2583	59.6933	54.9462	118.5213
20	0.9063	0.7519	-0.5389	0.7958	-0.6375	1.2624	0.0288	-0.0373	-0.0082	0.0197	-0.0105	0.0276	0.0686	-0.0871	-0.0214	0.3191	-0.2903	-0.1338	0.3586	0.1679	0.2386	50.5897	52.8239	117.8467
21	2.6245	1.0173	-0.7289	0.8361	-0.5715	1.1311	-0.0289	0.0827	0.1121	0.0245	-0.0101	0.0038	-0.0213	-0.0025	-0.0265	0.3533	-0.2673	-0.1802	0.3483	0.2568	0.2925	61.8934	60.8964	118.3484
22	1.2208	1.2255	-0.4002	3.4805	-1.313	4.509	-0.1209	-0.0704	-0.3319	-0.0067	-0.068	-0.1221	0.3654	-0.0815	0.1959	0.4518	-0.2876	-0.1021	0.3693	0.1552	0.3416	54.4082	46.7994	123.6921
23	2.4434	-0.1476	0.9546	2.1198	-1.8498	4.1246	-0.1903	0.3189	-0.1335	-0.4471	0.0439	-0.1022	0.3954	0.0527	0.1245	0.6399	-0.2568	-0.1082	0.4268	0.171	0.4128	61.6823	49.2829	112.4873
24	0.9079	-0.8257	-0.4262	2.6502	-1.6454	2.3769	0.0762	-0.4626	0.0453	0.4298	-0.1641	-0.1198	-0.2567	0.0445	0.0893	0.4294	-0.1461	-0.1721	0.5092	0.1479	0.4053	62.7812	55.882	133.6388
25	1.9579	0.8182	1.1836	1.8713	-0.9534	2.7972	0.1338	-0.1281	-0.102	0.0974	-0.0652	-0.0128	0.1129	-0.0679	-0.085	0.2556	-0.1765	-0.195	0.2741	0.1488	0.258	56.1276	64.9446	102.2483
26	1.8274	-0.41	1.0756	0.5893	-0.2919	1.9363	0.0416	-0.0917	-0.0536	0.004	-0.0137	0.0662	0.0358	-0.2064	-0.0641	0.2289	-0.0887	-0.2113	0.2503	0.1115	0.1491	49.1331	68.6232	96.0241
27	5.603	-0.6804	1.4544	0.8486	-0.7365	1.5214	0.0124	-0.1326	0.088	0.1751	-0.0347	-0.0834	-0.1578	0.0026	0.0035	0.3401	-0.1805	-0.1372	0.3024	0.1987	0.2887	57.6447	68.0041	106.89
28	4.3339	1.6444	1.1719	2.0668	0.6711	3.1269	0.1389	-0.1222	-0.2097	0.076	-0.0232	0.093	0.3522	-0.3594	-0.0844	0.3857	-0.1848	-0.2715	0.3369	0.1192	0.3194	45.5318	60.5728	98.2418
29	1.488	0.742	-0.6778	2.0148	-1.8002	3.1768	0.1032	0.1855	-0.0797	-0.11	-0.1092	-0.0613	0.1488	0.1812	0.0153	0.4753	0.0115	-0.2415	0.4604	0.1189	0.2872	58.6429	60.8681	96.0973
30	3.182	-0.1303	-0.0375	1.7981	-0.4726	1.9306	0.3192	-0.8543	-0.0026	0.4192	-0.2606	0.1745	0.2445	-0.6594	-0.0503	0.6197	-0.3293	-0.2206	0.6857	0.1784	0.6003	46.965	59.1385	115.4744
31	2.8132	0.8004	0.9604	1.0541	0.7306	2.6334	0.0321	0.0827	-0.0444	-0.1164	0.0513	0.1714	-0.0512	-0.2262	-0.0724	0.1649	-0.0876	-0.1324	0.1698	0.1532	0.1609	65.562	79.0979	95.3716
32	0.8118	-0.0841	-0.2374	1.0103	-0.3412	0.9144	0.0298	0.1319	0.126	-0.1167	0.0719	0.1364	-0.0939	-0.1143	-0.0916	0.1642	-0.0883	-0.064	0.1498	0.1295	0.128	68.3168	87.4138	92.2843
33	0.4141	-0.0797	0.1473	1.0073	-0.4426	0.4232	0.0434	-0.0643	-0.0689	0.0244	0.0264	0.0311	0.0415	-0.0499	-0.0064	0.1303	-0.2426	-0.1284	0.2026	0.1623	0.2006	65.9223	77.7927	102.1141
34	6.4652	-1.3658	1.897	1.5906	-0.3117	4.7165	0.2563	0.4723	0.017	-0.3996	-0.1004	0.2003	0.0075	-0.2081	-0.1474	0.2512	-0.0713	-0.1048	0.2607	0.1466	0.1492	62.7348	82.8621	86.4871
35	4.3542	0.1747	2.1884	1.3199	-0.1099	1.575	0.0327	0.1351	-0.0667	-0.1088	0.0213	-0.0619	0.1025	0.0183	0.0051	0.2552	-0.0483	-0.1027	0.1854	0.1069	0.1932	72.8208	75.8766	91.4409
36	1.619	-0.2919	-0.1382	1.4114	-0.6393	4.0422	0.0238	-0.2693	0.1708	0.0585	-0.0146	0.1695	-0.2449	-0.3814	-0.0004	0.2937	-0.0691	-0.1627	0.4117	0.0452	0.3165	50.8615	77.7256	95.8251
37	3.0284	-1.1984	-1.0315	1.7118	0.8838	2.5395	0.0135	-0.0898	0.048	0.0048	0.0223	0.0071	-0.0049	-0.0847	-0.0065	0.2297	0.1248	0.2393	0.1996	0.1388	0.256	65.8861	13.6845	82.4361
38	1.0846	0.1267	-0.3444	1.7254	-1.1612	1.6217	0.0427	-0.0355	-0.0704	-0.0046	0.0543	0.0954	0.0814	-0.0779	-0.0462	0.1607	0.1013	0.0721	0.1421	0.1748	0.1923	68.2165	5.2445	85.0979
39	0.8049	-0.2989	-0.2346	1.9316	-0.5234	0.8452	0.1065	0.1696	0.2182	-0.1137	-0.011	-0.0639	-0.1088	-0.0272	-0.069	0.2975	0.2369	0.2343	0.2959	0.1648	0.3122	65.9058	15.4131	75.8106
40	3.8248	-0.3362	-0.8559	2.7861	-1.6951	4.6324	0.0173	-0.2863	-0.0351	0.2272	0.0523	0.1239	-0.0617	-0.0915	-0.0404	0.2388	0.1221	0.1473	0.217	0.1332	0.2446	63.1236	9.706	91.3237
41	5.9375	-0.6173	-3.1171	1.1913	0.5158	2.7237	0.0037	-0.243	0.071	-0.001	0.1261	-0.2657	-0.1125	0.3027	-0.0596	0.2752	0.0519	0.2123	0.2092	0.0539	0.4617	73.4248	16.4633	86.4197
42	2.0944	1.0249	0.1182	1.365	-1.6006	3.1916	-0.0127	0.4918	-0.0855	-0.2708	0.0643	-0.0555	0.216	-0.152	-0.0259	0.3943	0.0915	0.2734	0.5112	0.0892	0.482	51.4535	16.6488	82.8068
43	1.7697	-0.452	-1.2131	1.3876	-0.5449	1.9261	0.0492	-0.0486	0.0558	0.0126	0.1107	0.0527	-0.0851	-0.0401	-0.0211	0.2452	0.2279	0.2597	0.1551	0.0936	0.2919	81.4711	8.8011	70.5131
44	1.6651	-0.6846	-0.9177	0.999	0.7259	1.015	-0.009	-0.0172	-0.0381	0.0071	0.0459	-0.0163	0.019	-0.0003	0.0187	0.214	0.1501	0.1819	0.128	0.0567	0.1988	87.4969	3.0174	66.0954
45	1.0276	-0.4081	-0.6622	1.0612	-0.0059	1.0433	0.0839	0.0429	0.0941	0.0302	0.0366	0.0916	-0.1487	-0.0855	-0.0434	0.3029	0.1745	0.2423	0.2999	0.2096	0.2874	76.8179	11.6503	67.8549
46	2.5533	-1.6465	-0.5702	4.4908	-0.5142	2.3084	-0.1553	-0.3206	-0.1523	0.2574	0.1836	-0.075	0.1145	0.0548	0.0203	0.2293	0.1869	0.1432	0.2235	0.0709	0.2459	86.1185	-0.2255	74.6486
47	2.7075	0.7422	-2.8168	0.9493	-1.1243	3.6042	0.1634	-0.0736	0.3614	-0.1023	0.1457	-0.2247	-0.2844	0.1902	-0.2143	0.2757	0.0669	0.2508	0.228	-0.0783	0.4451	88.1767	12.9164	73.5373
48	4.9809	-1.488	0.2238	2.9841	-0.2476	1.722	0.0835	0.4538	-0.0522	-0.3931	0.0022	0.3483	0.1143	-0.2796	-0.1533	0.3882	0.1211	0.1321	0.3442	0.166	0.3438	69.9559	0.972	77.6649
49	1.0233	-0.1441	-0.3099	1.8474	-1.1986	1.4227	-0.0339	0.0278	-0.0628	-0.0311	0.0044	-0.0053	0.0783	0.0252	0.0619	0.3013	0.137	0.2644	0.2201	0.1942	0.2352	86.3495	19.7266	55.2541
50	1.4606	0.6922	-0.9469	0.7098	-0.4688	2.3126	-0.0833	0.1423	-0.0633	-0.1058	0.0428	-0.031	0.0997	0.0155	0.0412	0.2511	0.0308	0.159	0.2811	0.0936	0.1453	89.4599	21.4282	46.2872
51	0.8488	0.2965	-0.4656	1.1584	-0.5515	1.4409	-0.0817	0.0495	0.043	0.0918	0.1474	0.1619	0.0283	-0.2066	-0.0645	0.357	0.12	0.2867	0.2845	0.248	0.2849	80.3459	19.1104	56.536
52	2.9566	0.5227	-1.8028	2.3697	-0.5834	3.9407	-0.1026	-0.136	-0.2376	-0.0595	-0.0748	-0.234	0.2701	0.2856	0.1814	0.2699	0.0683	0.2072	0.2844	0.1458	0.2035	95.5606	15.8685	50.5543
53	1.283	-2.4763	0.3835	5.2607	-0.7334	1.4853	0.0046	-0.0092	0.1281	0.1201	-0.0578	-0.1167	-0.31	-0.0107	-0.0544	0.3563	0.1782	0.1866	0.2257	0.1002	0.2624	91.1547	26.1913	57.6063
54	3.97	-0.2739	-1.9187	2.0769	0.7147	2.0519	-0.2337	0.1018	-0.5608	0.1461	0.0998	0.4054	0.1346	-0.2627	0.1447	0.3922	0.2125	0.1189	0.356	0.0688	0.4684	85.8714	4.1141	58.3694
55	1.5385	-0.3603	-0.7106	2.4314	-0.5026	1.7207	-0.0893	-0.0088	-0.0017	0.0018	0.0392	-0.0153	0.0631	0.0005	0.0327	0.3243	0.0807	0.1407	0.2627	0.2833	0.333	75.9134	35.2734	50.8078
56	0.4964	-0.0437	0.0347	1.3503	-0.242	1.0474	-0.0038	0.0346	0.0089	-0.1599	0.0352	0.0756	-0.0472	-0.0517	0.0036	0.4026	0.0142	-0.0052	0.213	0.2614	0.3338	71.1912	41.4949	45.3533
57	0.3982	0.3881	-0.0866	1.4097	-1.0379	2.3997	-0.0658	-0.051	-0.049	-0.0228	0.1443	0.1192	0.1691	-0.1396	-0.0648	0.3266	0.1165	0.2366	0.3066	0.2676	0.4865	72.9066	30.5992	53.8456
58	1.555	-0.1915	-1.3898	1.9342	-0.5591	4.0652	-0.0545	0.0659	0.0064	-0.3134	0.0235	-0.163	-0.1392	0.1444	0.0337	0.3659	-0.0651	0.0266	0.2086	0.2606	0.3292	79.5569	39.7414	41.573
59	1.995	-1.5572	-0.9125	2.3178	0.4111	1.8604	-0.1196	-0.1116	0.0846	0.1832	0.1288	0.1294	-0.2694	-0.0769	-0.0692	0.4153	0.1185	0.0939	0.2673	0.2309	0.3468	79.3264	41.8726	54.6521
60	2.4224	0.2432	-0.1033	3.3704	-0.2592	2.1636	-0.0809	0.1737	-0.186	-0.2707	0.0929	0.2703	0.2248	-0.2517	0.01	0.4441	-0.0426	0.1475	0.4882	0.0709	0.2937	81.6474	23.8583	42.1512
61	2.119	-0.2572	-0.9825	3.405	-0.8593	2.9368	-0.0089	0.0363	0.1026	-0.137	-0.1372	0.047	0.0407	0.1074	0.1041	0.4452	0.2612	0.2141	0.4679	0.2002	0.5098	61.2904	40.8436	62.6779
62	2.1421	-1.0726	0.0718	2.1472	0.6819	1.449	-0.1031	0.0702	0.1475	-0.1069	-0.1234	0.237	-0.2187	-0.1331	0.205	0.4483	0.2378	0.1193	0.3751	0.1765	0.5153	52.8516	44.4996	65.035
63	3.6093	-0.3829	-0.5712	1.4656	-0.6585	1.7845	-0.071	0.02	-0.1791	-0.09	-0.0035	-0.0379	0.1599	0.057	0.0543	0.4917	0.1534	0.2995	0.4269	0.2778	0.5571	62.3282	34.7763	61.7439
64	1.3684	-0.3778	0.0412	1.5538	0.1376	1.5823	-0.1044	0.1452	0.3498	-0.1393	-0.0608	-0.0093	-0.5277	0.0087	0.1842	0.7692	0.2309	0.0948	0.4104	0.1876	0.605	57.123	50.5944	59.5819
65	2.6031	0.0137	-1.9156	1.9856	-0.5477	6.117	-0.1576	-0.4045	0.1696	0.1748	0.0029	-0.2291	-0.1167	0.3355	0.1536	0.5675	0.1417	0.122	0.5544	0.2089	0.6082	64.4188	45.3686	69.1792
66	1.21	0.2231	-0.6498	0.7431	0.9163	1.8783	-0.0739	0.3977	-0.0113	-0.4796	-0.1697	0.1258	-0.3156	-0.1516	0.2324	0.6456	0.0613	0.0718	0.6532	0.2756	0.7044	63.4718	41.3775	46.8525
67	1.0777	-0.4561	-0.9156	2.3473	-0.1976	1.4555	0.0735	0.1649	0.0971	-0.0898	-0.0883	0.0068	-0.082	-0.0371	-0.025	0.3439	0.1374	0.226	0.3029	0.2202	0.4804	56.7029	29.9858	77.8591
68	0.343	0.5319	-0.4683	1.039	-0.1442	2.23	0.0736	0.0655	0.0973	0.0064	-0.0207	0.1042	-0.1179	-0.1946	-0.0692	0.2437	0.124	0.224	0.2343	0.114	0.3108	50.8363	25.9155	84.1984
69	2.0674	0.171	-1.1587	0.8446	-0.4425	1.1509	-0.0232	0.0528	-0.1029	-0.1193	-0.0265	-0.0358	0.0877	0.0152	0.0034	0.4756	0.2413	0.2612	0.379	0.2749	0.4709	58.6497	27.0153	72.7818
70	3.4414	-2.0517	-0.1837	3.8444	-0.087	2.7282	-0.0484	-0.06	0.2126	0.0117	0.0295	0.1286	-0.2454	-0.2406	0.0386	0.4155	0.1505	0.2617	0.4213	0.1057	0.4757	48.3969	34.7437	83.6198
71	2.2293	-2.0569	0.975	3.0268	-1.374	0.6366	0.0437	-0.0897	-0.0042	0.1181	-0.081	-0.233	0.008	0.1683	0.0488	0.4342	0.0366	0.1364	0.4719	0.2086	0.5512	61.416	32.4062	84.5733
72	1.3555	-0.9902	-0.388	0.8307	0.2695	0.1128	-0.0165	0.335	-0.1552	-0.3175	-0.0551	0.0806	0.0191	-0.1327	0.0687	0.5169	0.2156	0.037	0.4983	0.0859	0.6312	48.3227	38.6052	67.2129

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(chain A and resid 2:16)
2	X-RAY DIFFRACTION	2	(chain A and resid 17:31)
3	X-RAY DIFFRACTION	3	(chain A and resid 32:46)
4	X-RAY DIFFRACTION	4	(chain A and resid 47:61)
5	X-RAY DIFFRACTION	5	(chain A and resid 62:76)
6	X-RAY DIFFRACTION	6	(chain A and resid 77:92)
7	X-RAY DIFFRACTION	7	(chain B and resid 3:16)
8	X-RAY DIFFRACTION	8	(chain B and resid 17:31)
9	X-RAY DIFFRACTION	9	(chain B and resid 32:46)
10	X-RAY DIFFRACTION	10	(chain B and resid 47:61)
11	X-RAY DIFFRACTION	11	(chain B and resid 62:76)
12	X-RAY DIFFRACTION	12	(chain B and resid 77:88)
13	X-RAY DIFFRACTION	13	(chain C and resid 2:16)
14	X-RAY DIFFRACTION	14	(chain C and resid 17:31)
15	X-RAY DIFFRACTION	15	(chain C and resid 32:46)
16	X-RAY DIFFRACTION	16	(chain C and resid 47:61)
17	X-RAY DIFFRACTION	17	(chain C and resid 62:76)
18	X-RAY DIFFRACTION	18	(chain C and resid 77:91)
19	X-RAY DIFFRACTION	19	(chain D and resid 3:16)
20	X-RAY DIFFRACTION	20	(chain D and resid 17:31)
21	X-RAY DIFFRACTION	21	(chain D and resid 32:46)
22	X-RAY DIFFRACTION	22	(chain D and resid 47:61)
23	X-RAY DIFFRACTION	23	(chain D and resid 62:76)
24	X-RAY DIFFRACTION	24	(chain D and resid 77:91)
25	X-RAY DIFFRACTION	25	(chain E and resid 4:16)
26	X-RAY DIFFRACTION	26	(chain E and resid 17:31)
27	X-RAY DIFFRACTION	27	(chain E and resid 32:46)
28	X-RAY DIFFRACTION	28	(chain E and resid 47:61)
29	X-RAY DIFFRACTION	29	(chain E and resid 62:76)
30	X-RAY DIFFRACTION	30	(chain E and resid 77:88)
31	X-RAY DIFFRACTION	31	(chain F and resid 2:16)
32	X-RAY DIFFRACTION	32	(chain F and resid 17:31)
33	X-RAY DIFFRACTION	33	(chain F and resid 32:46)
34	X-RAY DIFFRACTION	34	(chain F and resid 47:61)
35	X-RAY DIFFRACTION	35	(chain F and resid 62:76)
36	X-RAY DIFFRACTION	36	(chain F and resid 77:91)
37	X-RAY DIFFRACTION	37	(chain G and resid 2:16)
38	X-RAY DIFFRACTION	38	(chain G and resid 17:31)
39	X-RAY DIFFRACTION	39	(chain G and resid 32:46)
40	X-RAY DIFFRACTION	40	(chain G and resid 47:61)
41	X-RAY DIFFRACTION	41	(chain G and resid 62:76)
42	X-RAY DIFFRACTION	42	(chain G and resid 77:91)
43	X-RAY DIFFRACTION	43	(chain H and resid 3:16)
44	X-RAY DIFFRACTION	44	(chain H and resid 17:31)
45	X-RAY DIFFRACTION	45	(chain H and resid 32:46)
46	X-RAY DIFFRACTION	46	(chain H and resid 47:61)
47	X-RAY DIFFRACTION	47	(chain H and resid 62:76)
48	X-RAY DIFFRACTION	48	(chain H and resid 77:90)
49	X-RAY DIFFRACTION	49	(chain I and resid 3:16)
50	X-RAY DIFFRACTION	50	(chain I and resid 17:31)
51	X-RAY DIFFRACTION	51	(chain I and resid 32:46)
52	X-RAY DIFFRACTION	52	(chain I and resid 47:61)
53	X-RAY DIFFRACTION	53	(chain I and resid 62:76)
54	X-RAY DIFFRACTION	54	(chain I and resid 77:89)
55	X-RAY DIFFRACTION	55	(chain J and resid 3:16)
56	X-RAY DIFFRACTION	56	(chain J and resid 17:31)
57	X-RAY DIFFRACTION	57	(chain J and resid 32:46)
58	X-RAY DIFFRACTION	58	(chain J and resid 47:61)
59	X-RAY DIFFRACTION	59	(chain J and resid 62:76)
60	X-RAY DIFFRACTION	60	(chain J and resid 77:91)
61	X-RAY DIFFRACTION	61	(chain K and resid 3:16)
62	X-RAY DIFFRACTION	62	(chain K and resid 17:31)
63	X-RAY DIFFRACTION	63	(chain K and resid 32:46)
64	X-RAY DIFFRACTION	64	(chain K and resid 47:61)
65	X-RAY DIFFRACTION	65	(chain K and resid 62:76)
66	X-RAY DIFFRACTION	66	(chain K and resid 77:88)
67	X-RAY DIFFRACTION	67	(chain L and resid 3:16)
68	X-RAY DIFFRACTION	68	(chain L and resid 17:31)
69	X-RAY DIFFRACTION	69	(chain L and resid 32:46)
70	X-RAY DIFFRACTION	70	(chain L and resid 47:61)
71	X-RAY DIFFRACTION	71	(chain L and resid 62:76)
72	X-RAY DIFFRACTION	72	(chain L and resid 77:88)

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Open data

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Jan 31, 2019. EMDB accession codes are about to change! (news from PDBe EMDB page)

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Yorodumi