PDB-5nwk: 14-3-3c in complex with CPP and fusicoccin

ID or keywords:

Entry

Database: PDB / ID: 5nwk

Title

14-3-3c in complex with CPP and fusicoccin

Components

14-3-3 c-1 protein
Potassium channel KAT1

Keywords

SIGNALING PROTEIN / potassium channel / fusicoccin / complex / 14-3-3m

Function / homology

Function and homology information

inward rectifier potassium channel activity / monoatomic ion channel complex / intracellular protein localization / signal transduction / identical protein binding / plasma membrane / cytoplasm
Similarity search - Function

Biological species

Nicotiana tabacum (common tobacco)

Arabidopsis thaliana (thale cress)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.3 Å

Authors

Saponaro, A. / Porro, A. / Chaves-Sanjuan, A. / Nardini, M. / Thiel, G. / Moroni, A.

Citation

Journal: Plant Cell / Year: 2017
Title: Fusicoccin Activates KAT1 Channels by Stabilizing Their Interaction with 14-3-3 Proteins.
Authors: Saponaro, A. / Porro, A. / Chaves-Sanjuan, A. / Nardini, M. / Rauh, O. / Thiel, G. / Moroni, A.

History

Deposition	May 6, 2017	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Nov 22, 2017	Provider: repository / Type: Initial release
Revision 1.1	Jan 17, 2024	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

PDBx/mmCIF format	5nwk.cif.gz	756.5 KB	Display	PDBx/mmCIF format
PDB format	pdb5nwk.ent.gz	635 KB	Display	PDB format
PDBx/mmJSON format	5nwk.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/nw/5nwk ftp://data.pdbj.org/pub/pdb/validation_reports/nw/5nwk	HTTPS FTP

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Related structure data

Related structure data	5nwiC 5nwjC 1o9dS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	4hjq-d 1oiz-d 6cvr-d 6w2z-d 1o9e-1 3e6y-d 4mky-1 4jbd-1 6uzt-2 5i3r-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

5nwiC

5nwjC

1o9dS

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#38 - Feb 2003 Potassium Channels similarity (1) #152 - Aug 2012 cAMP-dependent Protein Kinase similarity (5) #222 - Jun 2018 Proteins and Nanoparticles similarity (8) #48 - Dec 2003 Catabolite Activator Protein similarity (5) #251 - Nov 2020 Adenylyl Cyclase similarity (6)

Deposited unit

A: 14-3-3 c-1 protein

P: Potassium channel KAT1

B: 14-3-3 c-1 protein

Q: Potassium channel KAT1

C: 14-3-3 c-1 protein

R: Potassium channel KAT1

D: 14-3-3 c-1 protein

S: Potassium channel KAT1

E: 14-3-3 c-1 protein

T: Potassium channel KAT1

F: 14-3-3 c-1 protein

U: Potassium channel KAT1

G: 14-3-3 c-1 protein

V: Potassium channel KAT1

H: 14-3-3 c-1 protein

W: Potassium channel KAT1

hetero molecules

247 kDa, 16 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

G: 14-3-3 c-1 protein

V: Potassium channel KAT1

H: 14-3-3 c-1 protein

W: Potassium channel KAT1

hetero molecules

defined by author
Evidence: isothermal titration calorimetry
61.4 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

A: 14-3-3 c-1 protein

P: Potassium channel KAT1

B: 14-3-3 c-1 protein

Q: Potassium channel KAT1

hetero molecules

defined by software
Evidence: isothermal titration calorimetry
61.9 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: 14-3-3 c-1 protein

R: Potassium channel KAT1

D: 14-3-3 c-1 protein

S: Potassium channel KAT1

hetero molecules

defined by software
Evidence: isothermal titration calorimetry
61.9 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

E: 14-3-3 c-1 protein

T: Potassium channel KAT1

F: 14-3-3 c-1 protein

U: Potassium channel KAT1

hetero molecules

defined by software
Evidence: isothermal titration calorimetry
61.9 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	99.806, 165.661, 170.552
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein	14-3-3 c-1 protein / 14-3-3 protein / 14-3-3-like protein C Mass: 29554.143 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Details: Initial PG do not belongs to the natural protein sequence. Source: (gene. exp.) Nicotiana tabacum (common tobacco) / Gene: 14-3-3 c-1, LOC107777576, Nt14-3-3omega2 / Production host: Escherichia coli (E. coli) / References: UniProt: Q5KTN5, UniProt: P93343*PLUS
#2: Protein/peptide	Potassium channel KAT1 Mass: 696.600 Da / Num. of mol.: 8 / Fragment: UNP residues 673-677 / Source method: obtained synthetically / Source: (synth.) Arabidopsis thaliana (thale cress) / References: UniProt: Q39128
#3: Chemical	ChemComp-FSC / FUSICOCCIN Mass: 680.823 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C₃₆H₅₆O₁₂
#4: Chemical	ChemComp-SEP / PHOSPHOSERINE / PHOSPHONOSERINE Type: L-peptide linking / Mass: 185.072 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₃H₈NO₆P
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 101 / 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: 2.91 Å³/Da / Density % sol: 57.78 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, sitting drop / Details: 0.1 M potassium thiocyanate, 30% w/v PEG MME 2000

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 0.97625 Å
Detector	Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Jun 11, 2016
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97625 Å / Relative weight: 1
Reflection	Resolution: 3.3→48.32 Å / Num. obs: 43249 / % possible obs: 100 % / Observed criterion σ(I): 2.7 / Redundancy: 7.5 % / B_iso Wilson estimate: 45.76 Å² / CC_1/2: 0.978 / R_pim(I) all: 0.132 / Net I/σ(I): 5.6
Reflection shell	Resolution: 3.3→3.42 Å / Redundancy: 7.6 % / Mean I/σ(I) obs: 2.7 / Num. unique obs: 4259 / CC_1/2: 0.407 / R_pim(I) all: 0.304 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	(1.10.1_2155: ???)	refinement
XDS		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1O9D

1o9d

Resolution: 3.3→48.318 Å / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 30.91

	R_factor	Num. reflection	% reflection
R_free	0.2858	2214	5.12 %
R_work	0.2289	-	-
obs	0.2308	43259	100 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 3.3→48.318 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	14706	0	346	101	15153

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.012	15283
X-RAY DIFFRACTION	f_angle_d	0.731	20694
X-RAY DIFFRACTION	f_dihedral_angle_d	26.097	5542
X-RAY DIFFRACTION	f_chiral_restr	0.038	2363
X-RAY DIFFRACTION	f_plane_restr	0.003	2633

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 (%)
3.3014-3.3732	0.3351	128	0.2689	2522	X-RAY DIFFRACTION	95
3.3732-3.4516	0.3275	146	0.2525	2555	X-RAY DIFFRACTION	95
3.4516-3.5379	0.3364	124	0.2487	2503	X-RAY DIFFRACTION	95
3.5379-3.6334	0.3345	144	0.2566	2518	X-RAY DIFFRACTION	95
3.6334-3.7403	0.3081	152	0.2389	2519	X-RAY DIFFRACTION	94
3.7403-3.8609	0.3194	159	0.2508	2523	X-RAY DIFFRACTION	94
3.8609-3.9988	0.2835	129	0.2322	2519	X-RAY DIFFRACTION	95
3.9988-4.1587	0.2544	130	0.2101	2577	X-RAY DIFFRACTION	95
4.1587-4.3478	0.279	115	0.1999	2549	X-RAY DIFFRACTION	96
4.3478-4.5767	0.2715	107	0.2006	2577	X-RAY DIFFRACTION	96
4.5767-4.8629	0.2647	127	0.2144	2580	X-RAY DIFFRACTION	95
4.8629-5.2376	0.2777	130	0.2227	2566	X-RAY DIFFRACTION	95
5.2376-5.7633	0.2931	143	0.2379	2563	X-RAY DIFFRACTION	95
5.7633-6.5939	0.2772	149	0.236	2600	X-RAY DIFFRACTION	95
6.5939-8.2951	0.2319	143	0.2127	2615	X-RAY DIFFRACTION	95
8.2951-39.6133	0.2573	150	0.2073	2737	X-RAY DIFFRACTION	95

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	6.1803	0.766	0.7109	4.7635	-1.0194	3.7406	-0.0758	0.0943	-0.9059	-0.5166	0.2295	-0.0313	0.234	-0.5635	-0.1474	0.2382	-0.0614	-0.0486	0.4438	-0.0027	0.3919	73.0552	-58.4987	-47.8465
2	3.7443	-0.398	-2.8001	1.8343	0.5651	6.5926	-0.111	-0.1809	0.1614	-0.081	0.5595	0.3835	0.3456	0.3272	-0.2782	0.1381	-0.091	-0.1664	0.1502	0.1275	0.478	71.123	-50.2463	-27.5607
3	3.9718	-1.7316	-2.4655	2.0074	1.6962	2.1951	-0.7417	-0.6204	-0.7904	0.4524	0.0739	0.3161	0.7808	0.4095	0.3986	0.334	0.0938	-0.0438	0.2429	0.1005	0.3637	71.7887	-59.1609	-25.1613
4	1.8157	0.0804	-0.9649	1.7246	0.0957	2.1352	-0.4853	-0.7327	-0.1961	0.0767	0.2506	-0.2404	0.6822	0.4918	0.1511	0.3303	0.0678	-0.1011	0.331	0.0274	0.3793	87.2655	-55.3939	-28.7426
5	4.393	-0.8289	-1.6065	2.8464	-0.3402	2.918	0.2146	-0.3486	0.8291	0.0022	0.3847	-0.1949	-0.7066	0.7321	-0.442	0.6027	-0.2347	-0.1056	0.3409	0.0929	0.5198	90.2406	-39.2217	-31.2448
6	9.7602	4.2586	3.1308	2.0045	-3.1245	2.7638	0.1863	-0.187	0.379	0.0183	0.1324	-0.3612	-1.1732	0.0614	-0.3554	1.4963	-0.1365	0.1831	0.3791	0.1437	0.643	79.7502	-43.3743	-29.8472
7	8.4273	3.4443	-1.0987	6.2544	3.329	3.0716	0.3909	-0.4556	0.0023	0.4221	-0.5979	0.6552	0.3536	0.2439	0.3285	0.3655	0.1488	0.045	0.3959	0.0615	0.3423	51.7816	-52.2341	-15.4859
8	0.6426	-0.5064	1.0952	4.9882	0.7562	2.376	0.0157	-0.2622	0.1753	0.0167	-0.0635	0.8745	1.1069	-0.0528	0.1771	0.3431	0.1704	0.0328	0.4516	0.0802	0.5548	47.3486	-53.0776	-24.6224
9	5.0292	-0.4599	-1.7544	1.6536	0.7024	4.2156	-0.2349	1.4915	-0.293	-0.1118	0.0692	-0.039	0.336	-0.5572	0.1234	0.2019	-0.0238	-0.1421	0.5614	-0.0429	0.5886	53.7708	-50.7874	-44.9162
10	3.42	-0.3714	2.3669	2.0428	-1.5421	2.4743	0.2472	0.3941	-0.2245	0.1785	-0.5011	-0.0225	-0.0172	0.1163	0.3716	0.3248	0.0521	-0.0741	0.3271	0.0329	0.6184	39.2673	-46.3092	-36.4393
11	0.9774	0.6849	-0.1504	0.6373	-0.7308	2.7008	0.9665	0.4717	-1.4172	0.3183	0.2301	0.3002	0.24	-0.1443	-0.6842	0.218	0.1281	-0.1437	1.2319	-0.2192	0.8519	34.7556	-43.1768	-44.6145
12	2.9447	-1.2407	-0.9424	8.5232	0.1474	6.3423	0.2648	0.3313	-0.1978	-1.3034	-0.73	-0.5387	0.3451	0.1022	0.2583	0.2336	0.0648	0.0171	0.8375	0.0064	0.4179	39.8553	-34.6422	-40.3468
13	3.1648	-0.7553	-1.3053	2.0911	-1.1084	5.5706	0.7866	0.1575	0.2937	-0.1466	0.2828	-0.4077	0.2484	-0.1118	-0.9273	0.5637	0.1697	0.1049	0.5204	0.1239	0.5075	38.8499	-23.9718	-36.0604
14	2.9254	-0.6317	-1.1972	4.7267	-0.4734	3.7097	0.7394	0.4943	0.5677	-0.9872	0.1205	0.095	-0.0103	0.4246	-0.5116	0.1341	0.2262	-0.03	0.6943	0.1439	1.1018	48.3386	-26.4506	-43.323
15	6.572	-2.6138	4.2488	8.9494	-1.1498	2.7851	0.0752	-0.7185	-0.0383	1.5092	0.0872	0.0769	0.1666	-0.3638	-0.1329	0.5931	0.2814	-0.1368	1.413	0.0453	0.5779	50.601	-36.8119	-41.6762
16	1.5126	-0.0041	0.4492	2.3356	2.0042	6.3096	0.2226	0.0901	-0.0337	-0.0324	-0.4933	0.1303	0.5828	-0.7209	0.2115	0.1821	0.0343	0.0316	0.3798	0.0081	0.3824	26.5232	-24.4703	-10.2867
17	2.2402	-0.3052	-1.0127	3.2819	1.1901	2.311	0.4623	-0.0622	-0.0818	1.1081	-0.2029	1.3748	-0.2027	-0.982	0.022	-0.2866	0.0375	-0.3191	0.5993	0.2673	0.3177	21.6855	-26.2167	2.2891
18	3.729	-1.4685	-1.7531	2.8691	0.7162	2.4015	-0.0637	-0.4022	0.1206	0.5187	0.1989	-0.2365	0.6124	0.1657	-0.0907	0.3191	0.0989	-0.0651	0.2969	0.0109	0.3267	39.3525	-37.4862	-1.3178
19	2.5705	-0.0094	1.4138	2.4297	-1.5221	1.6755	0.8321	-0.0665	-0.193	-0.4434	0.4505	-0.3736	0.5259	0.4318	-0.6169	0.2967	0.144	0.1134	0.511	0.0458	0.9177	50.0813	-28.9849	-5.6718
20	8.795	-2.033	-2.3142	8.0938	-2.6037	1.8961	0.103	0.1121	-0.0352	1.0244	0.4345	-0.6403	-0.3655	0.0318	-0.449	0.6696	0.0139	-0.009	0.3173	0.0938	0.7134	39.8286	-26.7349	-1.1562
21	1.4465	0.5289	0.0228	1.4868	0.2027	1.1638	0.3037	0.1207	0.468	0.457	0.0202	0.2235	0.7394	0.0096	-0.0423	0.1499	-0.219	-0.0061	0.1455	0.1042	0.5799	21.0724	-4.0438	-4.1391
22	1.4257	-0.0413	0.3698	3.4824	0.4408	1.8707	0.1541	0.2071	-0.0397	-0.9829	-0.2268	0.3634	-0.1621	0.0898	0.0855	0.4534	-0.0174	-0.2369	0.2884	0.0582	0.3866	19.0881	4.4303	-14.9159
23	3.2064	0.0885	0.7227	2.0738	-1.3213	1.0333	0.0522	0.7079	0.3371	-0.7156	0.2996	-0.3037	-0.574	0.7112	-0.2634	0.4392	-0.1879	0.1535	0.6232	-0.0874	0.5679	33.5466	15.6538	-13.5781
24	3.2573	-0.0474	-0.2958	3.954	-1.7348	0.8082	-0.1703	0.0133	0.3942	0.005	0.6466	-0.4335	0.1469	0.5684	-0.5397	0.3654	-0.0538	-0.0457	0.4642	-0.0515	0.6901	39.7227	11.5441	-7.5909
25	6.7325	0.4893	1.785	7.7328	1.0295	2.2054	0.1127	0.976	-0.1683	-1.1339	0.2947	-0.1799	0.7245	0.3645	-0.1745	0.6514	0.0217	-0.7013	1.1213	0.7496	0.2208	32.4521	3.1212	-13.2406
26	0.2189	-0.0439	-0.5265	1.2594	-0.2902	5.6274	0.4803	0.6625	0.1413	-0.7195	-0.7876	0.1791	-0.2824	-0.1538	0.1779	1.0601	0.006	0.0376	0.5101	-0.1203	0.4241	30.0268	31.6796	2.5781
27	4.5721	-1.5349	-0.396	1.8508	-1.4697	1.9303	0.2067	-0.0096	-0.3459	-0.4877	-0.0875	1.3526	-0.332	-0.1366	-0.0628	0.8534	0.0518	-0.1638	0.35	0.0294	0.8726	24.1886	30.5551	10.4634
28	1.7559	1.3514	1.2549	2.0395	0.8394	5.2546	0.6434	-0.5099	0.4729	-0.7989	-0.4499	-0.2281	-0.1486	0.321	-0.0567	-0.1056	-0.1566	0.1461	0.4815	-0.1934	0.5538	33.498	27.9341	27.4075
29	1.2249	0.2939	-0.1782	1.5666	-0.6915	2.3212	-0.0452	-0.9463	0.6785	-0.1062	-0.2957	0.5381	-0.8678	-0.3125	-0.0134	0.4729	0.121	0.2074	0.507	-0.1134	0.5947	26.3103	32.3052	31.3719
30	0.929	0.3329	-0.5885	2.2691	0.0548	2.9285	0.1491	-0.5151	0.3424	-0.8794	0.2859	0.553	1.2568	-0.6146	-0.0097	-0.4213	0.113	0.1229	0.3493	-0.1334	0.5845	23.398	15.0358	26.9756
31	2.7127	0.1835	1.3143	4.0411	1.1623	2.0531	-0.1663	-0.0368	-0.6199	-0.076	0.014	0.051	0.5461	-0.4271	0.2968	0.1845	0.0269	0.0286	0.3741	0.0559	0.6918	32.2174	1.5349	20.5707
32	3.1654	-0.3005	3.4491	2.2068	-0.9919	2.0117	-0.1658	-0.3593	-0.3216	-0.2683	-0.1384	-0.2806	-0.11	0.5806	0.2363	0.234	-0.0104	0.0253	0.4573	0.1075	0.6196	38.752	8.0631	26.9576
33	2.185	-0.8231	-0.2326	1.9579	-0.1889	0.0706	0.1131	-0.2916	-0.0367	0.8747	-0.0925	-0.4876	0.0643	0.3001	0.0797	0.0129	0.2214	0.4991	0.6662	-0.0078	0.5056	34.735	17.0371	26.4011
34	3.9194	0.392	0.0816	4.7208	0.4667	5.2671	0.2192	0.0346	-0.0362	0.3176	0.1699	0.1247	0.3147	-0.3046	-0.5185	0.2472	-0.0532	-0.0921	0.3691	0.0084	0.518	41.2426	46.1543	34.453
35	2.6971	0.8581	0.5712	2.4888	1.4232	4.2823	-0.1021	0.1741	0.2211	-0.2215	-0.0965	-0.0124	0.0104	-0.2828	0.1544	0.3437	-0.0824	0.0517	0.2072	0.0783	0.4741	46.904	44.2132	19.0376
36	3.6889	1.0193	1.2492	4.6336	3.4372	7.8992	-0.349	0.5188	0.5635	-0.8743	-0.1422	0.3681	-0.0183	-0.7694	0.4887	0.537	-0.0535	-0.0045	0.4951	0.2058	0.4649	39.51	45.3579	7.4575
37	2.0202	0.0064	0.175	0.2631	0.7158	1.6538	-0.3513	0.2537	0.2183	-0.4478	0.4565	0.2476	0.1608	-0.168	-0.1267	0.749	-0.1549	-0.0674	0.3387	0.1314	0.5681	56.6199	54.6732	18.2531
38	2.9504	-1.2152	-0.4076	2.3512	-1.0591	0.9101	-0.3036	0.4629	-0.1469	-0.9678	0.0083	0.9338	0.4026	-0.2923	0.2795	0.923	-0.1541	-0.0654	0.3853	0.0317	0.3529	61.7769	47.1211	13.5732
39	1.6091	-0.478	-0.5	2.37	-1.6041	3.1423	-0.1115	0.3105	0.4204	-0.5749	-0.5345	-0.6794	-0.3171	0.6343	0.5196	0.7026	-0.1233	0.0384	0.329	0.0612	0.5363	73.2044	44.4644	17.7332
40	3.906	1.1144	0.1029	3.472	0.1883	-0.0031	-0.1451	-0.1926	-0.4117	0.3979	0.522	-0.1294	-0.0353	0.2377	-0.2649	0.7106	0.0925	0.0078	0.5234	0.1221	0.4981	67.4828	37.8795	20.4941
41	2.0039	-5.5947	2.5798	2.006	-4.3961	1.7467	-0.3627	-0.0151	0.0642	0.2515	0.3524	-0.0063	0.1904	0.0579	0.0069	0.6093	-0.2089	-0.045	0.8329	0.0602	0.6912	56.5692	40.6682	16.3536
42	3.194	0.741	2.5407	2.1145	1.0556	3.2178	0.1406	0.0129	0.8113	-0.3009	0.0687	0.3392	0.5621	-0.7506	-0.3141	0.7342	-0.1524	0.0403	0.7193	0.2598	1.1073	-7.8962	8.9137	1.0513
43	0.258	-0.3273	-0.0914	1.5098	-0.5884	1.7079	0.0746	-0.0109	0.3674	-0.2914	-0.0229	0.384	0.2667	-0.8445	-0.0969	0.3864	-0.0503	-0.0357	0.7487	0.1172	0.996	-6.1143	-9.9492	-9.8937
44	2.3462	-1.4421	-0.6917	3.5457	0.7643	3.652	0.8499	-0.5214	0.7047	-0.7998	0.2182	0.1571	-0.4705	0.3853	-0.6899	0.575	-0.2651	-0.0286	0.3476	0.0241	0.8095	-4.1233	-13.9558	6.1638
45	2.9271	-0.9664	-0.1952	4.864	0.7784	3.004	0.6322	-0.0915	0.1161	-0.0108	-0.3042	0.698	0.3079	-0.0924	-0.356	0.3294	-0.0564	-0.0953	0.6355	0.0818	0.7755	-14.0666	-21.04	9.2294
46	3.6502	-0.1827	-0.3951	0.9224	-1.5905	2.8423	-0.5628	-0.0093	-0.1241	-0.3047	-0.1035	-0.2153	0.7214	-0.7587	0.5686	0.8818	-0.1799	0.0794	0.9393	0.3542	1.0107	-23.2883	-18.1558	6.5968
47	4.2995	2.7857	1.1899	5.5293	0.6101	0.3374	0.4463	0.3898	0.1637	-0.5443	0.6909	0.2875	-0.1518	-0.4269	-0.8811	0.7094	-0.3121	0.1648	1.3456	0.3992	1.1777	-16.3383	-15.7366	-1.6377
48	0.7275	-1.3482	-0.9938	4.0789	3.9094	4.0955	-0.2828	0.4366	0.2517	-1.1481	0.6109	-0.9909	-0.3633	-0.511	-0.2554	0.8066	-0.5173	-0.1969	0.9882	0.398	1.403	-10.6263	-10.6407	-30.9691
49	0.2585	-0.0465	0.2672	1.135	0.657	0.6798	-0.2551	0.3465	0.6159	-0.6456	0.5943	-0.1146	-0.5935	-1.1349	-0.3684	1.2554	0.2646	-0.0846	1.2349	0.2358	1.0958	-11.0542	-2.2111	-28.3847
50	0.9497	-0.5047	-1.6347	2.9367	2.5002	3.9026	0.0856	0.2541	0.8637	-0.8123	0.213	0.0702	-0.6928	-0.9762	-0.282	0.9885	0.1883	-0.3764	1.1647	0.4459	1.5251	-21.019	8.9979	-17.1741
51	1.9438	-0.3873	-1.0169	2.7408	0.6102	0.5775	-0.2245	0.0804	0.5616	-0.9191	0.4914	-0.5038	-0.5511	-0.9306	-0.5347	1.3333	0.5975	0.1098	0.577	0.6781	1.9443	-15.4176	14.6031	-21.3544
52	0.651	-0.136	1.0796	1.2398	0.3252	2.0628	0.3677	0.2752	-0.0399	0.0942	-0.426	0.0778	-0.3856	-0.6727	0.0534	0.9156	0.5053	0.0874	2.0422	0.2715	1.9694	-27.0832	12.8893	-34.2624
53	2.7153	-0.5365	-0.3094	0.6385	-0.6974	1.1147	-0.019	0.9895	0.67	-0.7196	0.047	0.458	-0.5561	-0.1606	0.1217	1.4332	0.5053	-0.8654	2.784	0.2381	2.2228	-34.1805	12.3762	-28.5986
54	0.0649	-0.4592	-0.1491	2.6983	0.8778	0.2694	-0.3049	1.0272	0.2465	-0.369	-0.0566	0.7858	-0.3963	-0.2917	0.3552	1.4847	0.715	-0.5193	3.1155	0.2667	2.0407	-42.139	5.4294	-29.2437
55	1.9998	2	1.9997	1.9999	1.9998	1.9998	0.8898	-5.9257	3.0028	5.3367	-0.2136	4.5478	0.1552	-3.3676	-0.6902	0.711	-0.0366	-0.0942	0.8173	0.2901	0.8741	-29.7098	8.165	-23.5849

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 5 through 44 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 45 through 79 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 80 through 120 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 121 through 168 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 169 through 243 )
6	X-RAY DIFFRACTION	6	chain 'P' and (resid 674 through 677 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 1 through 20 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 21 through 44 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 45 through 112 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 113 through 143 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 144 through 167 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 168 through 193 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 194 through 220 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 221 through 245 )
15	X-RAY DIFFRACTION	15	chain 'Q' and (resid 673 through 677 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 7 through 79 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 80 through 120 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 121 through 215 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 216 through 240 )
20	X-RAY DIFFRACTION	20	chain 'R' and (resid 674 through 677 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 5 through 79 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 80 through 173 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 174 through 214 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 215 through 240 )
25	X-RAY DIFFRACTION	25	chain 'S' and (resid 673 through 677 )
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 3 through 21 )
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 22 through 44 )
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 45 through 78 )
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 79 through 120 )
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 121 through 193 )
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 194 through 222 )
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 223 through 240 )
33	X-RAY DIFFRACTION	33	chain 'T' and (resid 674 through 677 )
34	X-RAY DIFFRACTION	34	chain 'F' and (resid 5 through 37 )
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 38 through 77 )
36	X-RAY DIFFRACTION	36	chain 'F' and (resid 78 through 112 )
37	X-RAY DIFFRACTION	37	chain 'F' and (resid 113 through 173 )
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 174 through 193 )
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 194 through 214 )
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 215 through 241 )
41	X-RAY DIFFRACTION	41	chain 'U' and (resid 674 through 677 )
42	X-RAY DIFFRACTION	42	chain 'G' and (resid 5 through 44 )
43	X-RAY DIFFRACTION	43	chain 'G' and (resid 45 through 120 )
44	X-RAY DIFFRACTION	44	chain 'G' and (resid 121 through 173 )
45	X-RAY DIFFRACTION	45	chain 'G' and (resid 174 through 211 )
46	X-RAY DIFFRACTION	46	chain 'G' and (resid 212 through 243 )
47	X-RAY DIFFRACTION	47	chain 'V' and (resid 673 through 677 )
48	X-RAY DIFFRACTION	48	chain 'H' and (resid 5 through 20 )
49	X-RAY DIFFRACTION	49	chain 'H' and (resid 21 through 44 )
50	X-RAY DIFFRACTION	50	chain 'H' and (resid 45 through 79 )
51	X-RAY DIFFRACTION	51	chain 'H' and (resid 80 through 120 )
52	X-RAY DIFFRACTION	52	chain 'H' and (resid 121 through 173 )
53	X-RAY DIFFRACTION	53	chain 'H' and (resid 174 through 193 )
54	X-RAY DIFFRACTION	54	chain 'H' and (resid 194 through 237 )
55	X-RAY DIFFRACTION	55	chain 'W' and (resid 675 through 676 )

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