PDB-4cvn: Structure of the Fap7-Rps14 complex

ID or keywords:

Entry

Database: PDB / ID: 4cvn

Title

Structure of the Fap7-Rps14 complex

Components

30S RIBOSOMAL PROTEIN S11
PUTATIVE ADENYLATE KINASE

Keywords

TRANSFERASE /

RIBOSOME BIOGENESIS / RNP ASSEMBLY

Function / homology

Function and homology information

adenylate kinase /

adenylate kinase activity /

rRNA binding /

ribosome / structural constituent of ribosome /

translation /

ribonucleoprotein complex /

phosphorylation /

ATP hydrolysis activity /

Biological species

PYROCOCCUS ABYSSI GE5 (archaea)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.121 Å

Authors

Loch, J. / Blaud, M. / Rety, S. / Lebaron, S. / Deschamps, P. / Bareille, J. / Jombart, J. / Robert-Paganin, J. / Delbos, L. / Chardon, F. ...

Citation

Journal: Plos Biol. / Year: 2014
Title: RNA Mimicry by the Fap7 Adenylate Kinase in Ribosome Biogenesis
Authors: Loch, J. / Blaud, M. / Rety, S. / Lebaron, S. / Deschamps, P. / Bareille, J. / Jombart, J. / Robert-Paganin, J. / Delbos, L. / Chardon, F. / Zhang, E. / Charenton, C. / Tollervey, D. / Leulliot, N.

History

Deposition	Mar 28, 2014	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	May 28, 2014	Provider: repository / Type: Initial release
Revision 1.1	May 8, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_struct_conn_angle / struct_conn / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _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 / _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	4cvn.cif.gz	481.9 KB	Display	PDBx/mmCIF format
PDB format	pdb4cvn.ent.gz	402.8 KB	Display	PDB format
PDBx/mmJSON format	4cvn.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/cv/4cvn ftp://data.pdbj.org/pub/pdb/validation_reports/cv/4cvn	HTTPS FTP

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Related structure data

Related structure data	4cw7C C: citing same article (ref.)
Similar structure data	5gg6-1 4cw7-2 4cw7-3 3m7f-d 1r6q-1 1g77-d 3lec-d 1r6o-2 4icg-d 3al2-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) 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

4cw7C

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: PUTATIVE ADENYLATE KINASE

B: PUTATIVE ADENYLATE KINASE

C: PUTATIVE ADENYLATE KINASE

D: PUTATIVE ADENYLATE KINASE

E: 30S RIBOSOMAL PROTEIN S11

F: 30S RIBOSOMAL PROTEIN S11

G: 30S RIBOSOMAL PROTEIN S11

H: 30S RIBOSOMAL PROTEIN S11

hetero molecules

147 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

D: PUTATIVE ADENYLATE KINASE

F: 30S RIBOSOMAL PROTEIN S11

hetero molecules

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

2

C: PUTATIVE ADENYLATE KINASE

G: 30S RIBOSOMAL PROTEIN S11

hetero molecules

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

3

A: PUTATIVE ADENYLATE KINASE

H: 30S RIBOSOMAL PROTEIN S11

hetero molecules

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

4

B: PUTATIVE ADENYLATE KINASE

E: 30S RIBOSOMAL PROTEIN S11

hetero molecules

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

Unit cell

Length a, b, c (Å)	67.050, 139.550, 83.080
Angle α, β, γ (deg.)	90.00, 105.51, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	PUTATIVE ADENYLATE KINASE / / AK / ATP-AMP TRANSPHOSPHORYLASE / AFAP7 Mass: 21579.727 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) PYROCOCCUS ABYSSI GE5 (archaea) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 / References: UniProt: Q9UZK4, adenylate kinase
#2: Protein	30S RIBOSOMAL PROTEIN S11 / / ARPS14 Mass: 14772.950 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) PYROCOCCUS ABYSSI GE5 (archaea) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 / References: UniProt: P62010
#3: Chemical	ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE / Adenosine diphosphate Mass: 427.201 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₁₀H₁₅N₅O₁₀P₂ / Comment: ADP, energy-carrying molecule*YM
#4: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#5: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 508 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 2

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Sample preparation

Crystal	Density Matthews: 2.58 Å³/Da / Density % sol: 52.24 % / Description: NONE
Crystal grow	Details: 0.2 M MGCL2, 0.1 M TRIS-HCL PH 8.5, 25 %(W/V) POLYETHYLENE GLYCOL 3350

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 1 / Wavelength: 0.98
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.98 Å / Relative weight: 1
Reflection	Resolution: 2.12→80 Å / Num. obs: 312402 / % possible obs: 99.4 % / Observed criterion σ(I): 2 / Redundancy: 3.8 % / B_iso Wilson estimate: 39.11 Å² / R_merge(I) obs: 0.07
Reflection shell	Resolution: 2.12→2.25 Å / R_merge(I) obs: 0.66 / % possible all: 97.3

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
XDS		data reduction
XDS		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

SAD
Starting model: NONE

Resolution: 2.121→44.766 Å / SU ML: 0.23 / σ(F): 2 / Phase error: 21.79 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2125	4132	5 %
R_work	0.1721	-	-
obs	0.1741	82650	99.46 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.121→44.766 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9123	0	112	508	9743

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	9392
X-RAY DIFFRACTION	f_angle_d	1.285	12710
X-RAY DIFFRACTION	f_dihedral_angle_d	13.928	3567
X-RAY DIFFRACTION	f_chiral_restr	0.087	1456
X-RAY DIFFRACTION	f_plane_restr	0.007	1621

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 (%)
2.1214-2.1455	0.2905	121	0.2517	2314	X-RAY DIFFRACTION	88
2.1455-2.1707	0.2835	138	0.2299	2623	X-RAY DIFFRACTION	100
2.1707-2.1972	0.2699	138	0.2168	2607	X-RAY DIFFRACTION	100
2.1972-2.225	0.2535	140	0.2122	2658	X-RAY DIFFRACTION	100
2.225-2.2543	0.2711	137	0.2129	2616	X-RAY DIFFRACTION	100
2.2543-2.2851	0.2575	137	0.2113	2590	X-RAY DIFFRACTION	100
2.2851-2.3178	0.2329	138	0.2034	2622	X-RAY DIFFRACTION	100
2.3178-2.3524	0.2501	138	0.1992	2640	X-RAY DIFFRACTION	100
2.3524-2.3891	0.2748	138	0.1958	2620	X-RAY DIFFRACTION	100
2.3891-2.4283	0.2725	137	0.189	2592	X-RAY DIFFRACTION	100
2.4283-2.4702	0.2415	139	0.1877	2641	X-RAY DIFFRACTION	100
2.4702-2.5151	0.2353	136	0.1973	2597	X-RAY DIFFRACTION	100
2.5151-2.5635	0.2742	139	0.1877	2626	X-RAY DIFFRACTION	100
2.5635-2.6158	0.2502	139	0.195	2653	X-RAY DIFFRACTION	100
2.6158-2.6726	0.2431	139	0.1886	2632	X-RAY DIFFRACTION	100
2.6726-2.7348	0.242	136	0.1829	2595	X-RAY DIFFRACTION	100
2.7348-2.8032	0.2268	140	0.1827	2652	X-RAY DIFFRACTION	100
2.8032-2.879	0.2497	138	0.1907	2624	X-RAY DIFFRACTION	100
2.879-2.9637	0.2184	138	0.1858	2628	X-RAY DIFFRACTION	100
2.9637-3.0593	0.2572	139	0.1899	2636	X-RAY DIFFRACTION	100
3.0593-3.1686	0.2238	138	0.1851	2612	X-RAY DIFFRACTION	100
3.1686-3.2954	0.2596	138	0.1754	2625	X-RAY DIFFRACTION	100
3.2954-3.4454	0.1985	139	0.1762	2639	X-RAY DIFFRACTION	100
3.4454-3.6269	0.1898	138	0.1627	2622	X-RAY DIFFRACTION	100
3.6269-3.8541	0.2185	138	0.1548	2628	X-RAY DIFFRACTION	100
3.8541-4.1514	0.1929	140	0.1484	2655	X-RAY DIFFRACTION	100
4.1514-4.5689	0.1733	137	0.1332	2606	X-RAY DIFFRACTION	100
4.5689-5.2291	0.1798	140	0.144	2662	X-RAY DIFFRACTION	100
5.2291-6.5848	0.1844	139	0.1774	2635	X-RAY DIFFRACTION	100
6.5848-44.7759	0.162	140	0.1647	2668	X-RAY DIFFRACTION	99

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	3.4698	1.2821	-1.7426	5.462	-1.9013	4.9157	-0.041	-0.3706	0.1021	0.6112	0.2371	0.2307	-0.1252	-0.2445	-0.3231	0.5378	0.0485	0.0826	0.3862	0.0124	0.2637	-4.9876	88.8754	11.7414
2	6.3686	-1.0002	-1.637	3.7064	0.1216	3.9783	-0.2923	-0.7201	-0.1173	1.3627	0.5479	-0.2912	-0.2896	-0.2052	-0.057	0.8285	0.1095	0.0521	0.4395	0.0641	0.1579	2.5893	82.9144	15.4291
3	5.3448	5.3044	-5.1689	5.2412	-5.1113	4.8634	0.3453	-1.0743	-0.3771	0.9751	-0.3114	-0.9014	-0.2286	2.1009	0.1255	0.938	-0.0502	-0.2336	0.8855	0.0417	0.7017	18.0653	82.2375	8.1649
4	2.8504	-0.7874	-4.4812	7.5607	-1.8038	8.4749	-0.9652	-0.6397	-0.5814	0.5917	0.3263	-0.1877	0.9492	0.0313	0.5215	0.7569	-0.0229	0.1312	0.3549	0.058	0.4073	1.7286	74.5077	10.9274
5	0.6097	1.1372	-0.5269	4.7033	-4.5379	5.3847	-0.1228	-0.205	-0.162	0.5333	0.1142	0.2551	0.3187	-0.2527	0.127	0.4759	-0.0113	0.0801	0.2895	0.0068	0.246	-2.7965	84.7748	3.8315
6	2.9312	1.7233	0.7039	5.1386	0.5056	5.5877	-0.0075	-0.5514	1.2536	1.1295	-0.3408	-0.2375	-1.1455	-0.0187	0.2232	0.7166	0.0358	-0.1254	0.3344	-0.0802	0.3899	3.8186	103.7151	5.0544
7	2.1001	0.5293	1.6227	7.4283	1.8091	7.1534	0.0261	0.0584	0.0827	0.1953	-0.2675	-0.8257	-0.5402	0.4583	0.1679	0.4326	-0.0336	-0.0428	0.2579	0.0662	0.3428	7.0562	99.6631	-2.6444
8	6.2535	0.6021	-1.4035	3.3696	-2.3105	5.7372	-0.1039	0.0345	-0.1383	0.3718	0.387	0.2431	-0.0372	-0.446	-0.253	0.4065	0.0023	0.0537	0.2572	0.0147	0.2202	-6.7361	88.6983	-1.1078
9	3.9849	3.907	0.7016	4.0238	-0.9151	8.3529	-0.2462	-0.5371	0.56	1.254	0.1701	1.7537	-0.3935	-1.5842	-0.0682	0.6019	0.1579	0.2886	0.6531	0.1114	0.5609	-15.087	91.9938	11.179
10	5.55	1.5625	-2.9915	1.0729	-2.2027	6.3953	-0.1332	-0.0023	-0.3048	0.0014	0.1209	-0.0515	-0.2263	-0.4195	-0.1015	0.291	0.0445	-0.0338	0.2429	-0.0135	0.3031	-5.9288	98.604	-5.1227
11	7.7264	0.2683	4.7484	5.3744	1.6101	6.5836	0.2401	0.6346	-0.2428	-0.5633	-0.0817	-0.1383	0.4532	0.0268	-0.135	0.3714	-0.0554	0.0989	0.3787	-0.03	0.2572	-14.854	75.3376	31.2719
12	3.6358	-3.6843	1.2786	9.3201	4.1515	6.619	0.3761	0.4477	0.2967	-1.356	-0.1955	-0.6865	-0.0627	-0.0155	-0.1368	0.4242	0.0383	0.0572	0.5456	0.0372	0.2321	-19.8169	83.5385	27.4018
13	4.7905	6.5368	4.3349	8.4048	5.6118	3.7186	0.0647	-0.1167	0.6564	-0.6042	-0.5122	0.7622	-0.4118	-0.8151	0.4959	0.2969	0.0355	-0.0049	0.5136	-0.0183	0.3475	-25.7768	91.284	34.2457
14	2.7106	-1.8271	-0.3952	5.273	0.2861	4.7996	0.2608	0.1325	-0.3899	-0.3179	-0.3241	0.4937	0.1697	-0.7947	0.0764	0.2599	-0.0999	0.0041	0.4821	-0.0569	0.3033	-20.9841	78.0293	35.6215
15	3.8222	1.6207	-2.2644	2.2844	-2.069	2.4282	-0.0239	0.5278	0.1901	-0.1873	0.006	-0.5208	0.0325	0.5528	0.012	0.24	-0.0489	0.0559	0.527	0.0516	0.3785	-0.8997	84.4511	41.2512
16	4.4774	-0.1252	1.8162	7.8018	2.0096	7.6402	0.3681	0.0193	-0.0958	0.0643	-0.0692	0.1709	0.5352	-0.5017	-0.3269	0.2823	-0.0908	0.0378	0.3195	0.0331	0.2072	-15.2899	73.8387	44.1298
17	1.2569	0.9151	-0.6935	7.844	-3.3509	9.6192	0.6184	1.2017	-1.8249	-0.8957	-0.1192	-0.5258	1.6791	-0.3816	-0.0989	0.5454	0.0015	-0.0732	0.4214	-0.1503	0.442	-12.9004	65.0041	32.134
18	0.3888	0.9363	1.4748	5.2984	2.1706	5.4939	0.0244	0.0479	0.2984	-0.0015	0.211	0.1881	0.5098	0.1823	-0.1312	0.2194	-0.0081	0.0327	0.3177	0.1	0.3717	-5.2944	73.7537	48.3021
19	1.2082	1.2026	-2.2416	4.4476	0.6417	6.4401	-0.3832	0.3832	0.5267	-0.4362	-0.0371	0.1372	-1.401	-0.3611	0.4256	0.8518	-0.0568	-0.394	0.5975	0.1067	0.7218	15.8992	115.824	21.4122
20	9.132	-1.3563	3.3473	3.689	2.6403	4.0359	0.3839	0.5374	-1.4914	-1.3772	0.0371	0.4422	0.2593	0.3162	-0.0769	0.8528	-0.2575	-0.1978	0.8078	-0.0277	0.6999	19.3179	100.7633	10.3326
21	8.9219	-3.1151	-0.802	4.4243	-1.2041	7.1743	0.0441	0.364	1.1437	-1.0849	0.1403	-0.6364	-1.3433	1.173	-0.1191	1.1304	-0.3643	-0.2259	0.8845	0.2128	0.6884	26.5814	115.8944	13.6187
22	3.0124	-0.2919	-0.2942	4.5899	-2.3768	4.7266	-0.4419	0.2279	0.3166	-0.0667	0.2859	0.4759	-0.8879	-0.4357	0.1513	0.5466	0.0245	-0.2231	0.5755	-0.0183	0.4993	17.6843	107.1985	33.3001
23	1.7493	-0.0822	0.9359	0.0488	0.1727	4.0657	0.4178	-0.6852	-0.5811	1.1927	-0.5951	-1.5711	0.1519	0.7927	0.1678	0.6975	-0.1939	-0.6003	0.723	0.5484	1.3381	30.6903	48.6904	18.5386
24	1.8688	-0.7513	1.2969	1.5212	-0.9968	3.3851	-0.2884	-0.7054	0.3666	0.7018	-0.4658	-0.7439	0.3805	0.4593	-0.0106	1.5577	-0.5657	-1.1772	1.2452	0.7464	1.0328	28.8854	50.4495	28.6842
25	4.9475	-0.2293	-0.1121	0.8264	0.2036	0.2093	0.0567	-1.2955	0.6841	2.5122	-0.8073	-1.2706	-0.5322	0.6843	0.2299	1.554	-0.5603	-1.015	0.9143	0.2227	1.001	26.5806	58.1348	24.7656
26	6.933	4.2591	-4.5975	8.1672	-6.2154	9.1371	-0.3495	-0.1538	-0.2897	0.1224	-0.4337	-1.1286	0.6894	0.6523	0.7334	0.4276	-0.0395	-0.1129	0.2783	0.1268	0.4716	15.0647	42.0073	12.1268
27	7.1121	5.3667	-4.1063	4.2821	-4.1891	5.852	0.1581	-0.3784	0.4152	0.6243	-0.3816	-0.2456	-0.4923	0.3491	0.2599	0.5207	-0.0526	-0.1352	0.2595	0.0532	0.3696	10.3262	49.9863	12.0577
28	1.4095	-0.043	-0.5566	0.3983	-1.0397	2.8225	0.0398	-0.7438	0.0102	1.7446	-1.2687	-1.7435	-0.0741	1.2912	0.2387	0.6792	-0.1879	-0.699	0.6938	0.529	1.1913	26.041	57.5552	10.5232
29	4.4625	2.7289	2.9666	2.7335	3.0958	5.2238	0.1356	0.6351	-0.6797	0.2604	0.1679	-1.6188	0.1519	1.3891	-0.1398	0.5477	0.0001	-0.2718	1.0656	0.6169	1.5554	37.9228	47.7895	10.5634
30	1.3048	-0.3742	-0.6491	0.9082	0.5238	0.3929	0.9756	-0.4344	0.8426	0.3644	-0.8639	-1.1786	-0.5542	0.7954	0.0194	0.5645	-0.7077	-0.3254	0.994	0.794	1.7024	32.6196	59.2779	6.4279
31	3.3338	1.4339	0.112	5.7698	-0.7372	5.2632	0.0952	0.2881	-0.1969	0.0201	-0.2513	-0.6207	0.4511	-0.1909	0.2431	0.4797	-0.089	-0.0775	0.2263	0.0802	0.4286	11.1961	48.9898	1.7854
32	5.25	1.1087	2.1295	4.3095	1.5786	8.2514	-0.0237	-0.1221	0.1723	-0.3069	-0.0037	-0.9609	-0.6518	0.3081	0.0218	0.1723	-0.0152	0.0334	0.2812	0.0507	0.4306	0.8688	83.8703	61.608
33	3.7754	6.0374	-2.8677	9.2479	-3.6111	5.0326	-0.3322	-0.1626	-0.361	-0.5917	0.0901	-0.7221	0.5899	0.1806	0.2226	0.2484	0.0575	0.019	0.2603	0.0292	0.3579	-2.6054	69.8227	61.7188
34	5.707	0.0645	1.683	1.7999	1.9401	3.4186	-0.0325	-0.3875	-0.1243	0.6579	0.0032	-0.567	0.1521	0.4803	0.0209	0.2676	0.0033	-0.0623	0.3688	0.0409	0.3497	-0.0666	80.047	67.8806
35	3.4957	2.6354	0.9684	6.0881	0.6246	2.6259	0.3436	-0.1546	-0.4075	0.289	0.0513	1.0868	1.2848	-1.2467	-0.2409	0.3758	-0.1593	0.0069	0.507	0.0797	0.5786	-12.7595	77.7895	64.2647
36	4.913	-1.8197	5.3211	2.5321	-2.9567	8.5395	-0.2786	0.3269	0.336	0.0238	-0.0352	-0.0071	-0.3924	0.0509	0.5213	0.2064	-0.0803	-0.0001	0.2679	0.0272	0.3291	-8.716	90.3796	53.9817
37	7.8824	-0.4403	3.2177	2.516	1.8407	2.9087	0.1511	-1.2541	1.9866	2.8758	0.3033	1.8903	-0.168	-1.3578	-0.0652	0.8081	0.0305	0.1671	0.6869	-0.0287	1.0329	-15.0772	91.4807	46.5877
38	6.5737	0.4794	-0.2922	5.4592	-0.7839	4.6869	-0.1511	0.0235	-0.2847	0.3668	0.0591	0.1088	0.0559	-0.322	0.0379	0.3251	-0.0347	-0.027	0.3338	0.1655	0.3706	3.6464	56.9288	-0.7689
39	7.5239	4.586	-3.7574	9.0398	-3.5836	6.2454	-0.0801	-0.3374	-0.5955	-0.1488	-0.3494	-0.9531	0.4208	0.4158	0.3615	0.2822	0.0507	-0.0219	0.2406	0.0561	0.3472	14.9683	59.8768	-8.2786
40	9.0789	6.3228	-1.51	6.6353	-2.2425	3.1083	-0.2663	0.9067	0.7597	-0.6462	0.4278	0.6818	0.2545	-0.4443	-0.1358	0.3558	-0.0538	-0.0734	0.4036	0.145	0.3366	6.5069	64.0225	-9.9044
41	8.5628	1.5163	2.2674	6.8263	-0.7853	6.9921	-0.1806	-0.4762	0.5722	0.7845	0.1838	0.1639	-0.7846	-0.5765	-0.0134	0.4066	0.027	0.0272	0.2422	0.0513	0.4018	5.8374	64.9888	2.9445
42	9.4137	-3.8736	5.0062	6.7746	-5.1219	4.0331	0.2175	-1.3978	0.1777	0.9868	-0.0198	-0.3348	0.1636	-1.0913	-0.4252	0.6279	-0.0983	-0.0954	0.4889	0.0418	0.4685	5.2778	59.2892	11.2891
43	4.4195	-0.3143	1.0957	2.2626	-0.0476	5.2208	-0.0748	0.1719	-0.4161	-0.1178	-0.0767	0.5338	0.3222	-0.6836	0.1335	0.2063	-0.079	0.028	0.4515	-0.067	0.4433	20.7577	87.6488	45.251
44	6.5661	0.2167	-1.8651	5.6213	0.306	2.0052	-0.6	0.8791	1.1674	-0.4229	-0.2665	0.1168	-1.5051	0.2925	0.611	0.4707	-0.0189	-0.1416	0.3756	0.0422	0.4818	29.6694	104.422	51.0305
45	6.4949	7.5729	1.8391	9.9274	0.3388	5.444	0.1259	0.0692	-0.3415	0.5998	-0.0353	-0.1896	-0.0693	-0.2752	0.012	0.1891	0.04	-0.0108	0.288	-0.0311	0.3259	28.597	89.0444	52.2275
46	3.8888	-1.3622	1.5044	7.251	-4.0839	8.5126	-0.1549	0.6892	0.0207	-0.5461	-0.2141	-0.3796	-0.0788	0.5261	0.451	0.2398	-0.0766	0.001	0.4507	-0.0887	0.3402	29.4415	88.9224	39.5505
47	3.6625	-1.2088	2.63	7.9003	-3.9885	3.1325	-0.3303	0.6835	0.0818	-1.5066	0.3659	0.1859	0.5618	-0.7333	-0.1142	0.4143	-0.0375	-0.0577	0.6875	-0.0609	0.407	24.1279	89.8312	30.4752
48	4.3853	-0.1668	0.5994	5.1669	1.0844	5.5392	-0.1962	0.0369	0.4273	0.0121	0.0981	-0.4438	-0.4089	0.3072	0.1228	0.2576	-0.0099	-0.0352	0.1638	0.0026	0.2475	1.9081	104.5878	-18.305
49	8.7252	4.093	-0.5133	3.799	0.9842	2.9505	-0.0153	0.2493	0.2848	0.0831	0.0219	0.5436	-0.1214	-0.4556	-0.0222	0.2595	0.0474	-0.0202	0.288	-0.0189	0.2513	-8.2191	99.7259	-23.5745
50	4.5626	2.1247	-1.4433	4.9722	-3.235	7.4113	-0.2938	0.0903	-0.2161	-0.2495	0.0588	0.0237	0.315	-0.0048	0.3062	0.204	0.0001	0.0424	0.1918	-0.017	0.3104	3.0809	97.7363	-22.1167
51	1.96	-1.0373	1.5654	6.1826	-5.4975	4.6776	-0.0024	-0.0543	-0.1732	0.2244	-0.1916	-0.3634	0.2173	0.4982	0.463	0.3577	-0.0393	-0.0114	0.2121	-0.0071	0.3035	10.4886	92.3893	-9.672

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN A AND (RESID 0 THROUGH 24 )
2	X-RAY DIFFRACTION	2	CHAIN A AND (RESID 25 THROUGH 37 )
3	X-RAY DIFFRACTION	3	CHAIN A AND (RESID 38 THROUGH 51 )
4	X-RAY DIFFRACTION	4	CHAIN A AND (RESID 52 THROUGH 71 )
5	X-RAY DIFFRACTION	5	CHAIN A AND (RESID 72 THROUGH 89 )
6	X-RAY DIFFRACTION	6	CHAIN A AND (RESID 90 THROUGH 103 )
7	X-RAY DIFFRACTION	7	CHAIN A AND (RESID 104 THROUGH 115 )
8	X-RAY DIFFRACTION	8	CHAIN A AND (RESID 116 THROUGH 139 )
9	X-RAY DIFFRACTION	9	CHAIN A AND (RESID 140 THROUGH 152 )
10	X-RAY DIFFRACTION	10	CHAIN A AND (RESID 153 THROUGH 178 )
11	X-RAY DIFFRACTION	11	CHAIN B AND (RESID 0 THROUGH 24 )
12	X-RAY DIFFRACTION	12	CHAIN B AND (RESID 25 THROUGH 37 )
13	X-RAY DIFFRACTION	13	CHAIN B AND (RESID 38 THROUGH 63 )
14	X-RAY DIFFRACTION	14	CHAIN B AND (RESID 64 THROUGH 89 )
15	X-RAY DIFFRACTION	15	CHAIN B AND (RESID 90 THROUGH 115 )
16	X-RAY DIFFRACTION	16	CHAIN B AND (RESID 116 THROUGH 139 )
17	X-RAY DIFFRACTION	17	CHAIN B AND (RESID 140 THROUGH 152 )
18	X-RAY DIFFRACTION	18	CHAIN B AND (RESID 153 THROUGH 178 )
19	X-RAY DIFFRACTION	19	CHAIN C AND (RESID 1 THROUGH 37 )
20	X-RAY DIFFRACTION	20	CHAIN C AND (RESID 38 THROUGH 51 )
21	X-RAY DIFFRACTION	21	CHAIN C AND (RESID 52 THROUGH 71 )
22	X-RAY DIFFRACTION	22	CHAIN C AND (RESID 72 THROUGH 179 )
23	X-RAY DIFFRACTION	23	CHAIN D AND (RESID 1 THROUGH 24 )
24	X-RAY DIFFRACTION	24	CHAIN D AND (RESID 25 THROUGH 37 )
25	X-RAY DIFFRACTION	25	CHAIN D AND (RESID 38 THROUGH 89 )
26	X-RAY DIFFRACTION	26	CHAIN D AND (RESID 90 THROUGH 103 )
27	X-RAY DIFFRACTION	27	CHAIN D AND (RESID 104 THROUGH 115 )
28	X-RAY DIFFRACTION	28	CHAIN D AND (RESID 116 THROUGH 139 )
29	X-RAY DIFFRACTION	29	CHAIN D AND (RESID 140 THROUGH 153 )
30	X-RAY DIFFRACTION	30	CHAIN D AND (RESID 154 THROUGH 163 )
31	X-RAY DIFFRACTION	31	CHAIN D AND (RESID 164 THROUGH 179 )
32	X-RAY DIFFRACTION	32	CHAIN E AND (RESID 11 THROUGH 37 )
33	X-RAY DIFFRACTION	33	CHAIN E AND (RESID 38 THROUGH 56 )
34	X-RAY DIFFRACTION	34	CHAIN E AND (RESID 57 THROUGH 85 )
35	X-RAY DIFFRACTION	35	CHAIN E AND (RESID 86 THROUGH 107 )
36	X-RAY DIFFRACTION	36	CHAIN E AND (RESID 108 THROUGH 131 )
37	X-RAY DIFFRACTION	37	CHAIN E AND (RESID 132 THROUGH 136 )
38	X-RAY DIFFRACTION	38	CHAIN F AND (RESID 12 THROUGH 37 )
39	X-RAY DIFFRACTION	39	CHAIN F AND (RESID 38 THROUGH 56 )
40	X-RAY DIFFRACTION	40	CHAIN F AND (RESID 57 THROUGH 73 )
41	X-RAY DIFFRACTION	41	CHAIN F AND (RESID 74 THROUGH 107 )
42	X-RAY DIFFRACTION	42	CHAIN F AND (RESID 108 THROUGH 129 )
43	X-RAY DIFFRACTION	43	CHAIN G AND (RESID 11 THROUGH 47 )
44	X-RAY DIFFRACTION	44	CHAIN G AND (RESID 48 THROUGH 56 )
45	X-RAY DIFFRACTION	45	CHAIN G AND (RESID 57 THROUGH 73 )
46	X-RAY DIFFRACTION	46	CHAIN G AND (RESID 74 THROUGH 107 )
47	X-RAY DIFFRACTION	47	CHAIN G AND (RESID 108 THROUGH 130 )
48	X-RAY DIFFRACTION	48	CHAIN H AND (RESID 12 THROUGH 47 )
49	X-RAY DIFFRACTION	49	CHAIN H AND (RESID 48 THROUGH 73 )
50	X-RAY DIFFRACTION	50	CHAIN H AND (RESID 74 THROUGH 107 )
51	X-RAY DIFFRACTION	51	CHAIN H AND (RESID 108 THROUGH 136 )

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