PDB-8ver: Structure of YicC endoribonuclease

Basic information

• Entry: Database: PDB / ID: 8ver
• Title: Structure of YicC endoribonuclease
• Components: Endoribonuclease YicC
• Keywords: HYDROLASE / endoribonuclease / hexamer / e. coli

Function / homology

Function:

RNA endonuclease activity producing 5'-phosphomonoesters, hydrolytic mechanism / Hydrolases; Acting on ester bonds; Endoribonucleases producing 5'-phosphomonoesters / RNA catabolic process / cytosol

Domain/homology:

Conserved hypothetical protein CHP00255 / YicC-like, N-terminal / Domain of unknown function DUF1732 / Endoribonuclease YicC-like, N-terminal region / Endoribonuclease YicC-like, C-terminal

Component:

Endoribonuclease YicC

• Biological species: Escherichia coli (E. coli)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.8 Å
• Authors: Dahlin, H.R. / Khamrui, S. / Lazarus, M.B.

Funding support

United States, 1items

Organization	Grant number	Country
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	R35GM124838	United States

• Citation: Journal: Nucleic Acids Res / Year: 2024; Title: Structural insights into RNA cleavage by a novel family of bacterial RNases.; Authors: Ruoxi Wu / Shakti Ingle / Sarah A Barnes / Heather R Dahlin / Susmita Khamrui / Yufei Xiang / Yi Shi / David H Bechhofer / Michael B Lazarus / ; Abstract: Processing of RNA is a key regulatory mechanism for all living systems. Escherichia coli protein YicC belongs to the well-conserved YicC family and has been identified as a novel ribonuclease. Here, we report a 2.8-Å-resolution crystal structure of the E. coli YicC apo protein and a 3.2-Å-cryo-EM structure of YicC bound to an RNA substrate. The apo YicC forms a dimer of trimers with a large open channel. In the RNA-bound form, the top trimer of YicC rotates nearly 70° and closes the RNA substrate inside the cavity to form a clamshell-pearl conformation that resembles no other known RNases. The structural information combined with mass spectrometry and biochemical data identified cleavage on the upstream side of an RNA hairpin. Mutagenesis studies demonstrated that the previously uncharacterized domain, DUF1732, is critical in both RNA binding and catalysis. These studies shed light on the mechanism of the previously unexplored YicC RNase family.

History

Deposition	Dec 20, 2023	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 4, 2024	Provider: repository / Type: Initial release
Revision 1.1	Oct 9, 2024	Group: Database references / Structure summary / Category: citation / citation_author / pdbx_entry_details Item: _citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID / _pdbx_entry_details.has_protein_modification

Assembly

Deposited unit

A: Endoribonuclease YicC

B: Endoribonuclease YicC

C: Endoribonuclease YicC

D: Endoribonuclease YicC

E: Endoribonuclease YicC

F: Endoribonuclease YicC

hetero molecules

Summary:

• 201 kDa, 6 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	201,499	18
Polymers	200,346	6
Non-polymers	1,153	12
Water	0	0

1

Summary:

• Idetical with deposited unit
• defined by author&software

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	28050 Å2
ΔGint	-268 kcal/mol
Surface area	79890 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	112.923, 76.539, 136.345
Angle α, β, γ (deg.)	90.00, 100.29, 90.00
Int Tables number	4
Space group name H-M	P1211

Components

#1: Protein

A B C D E F
Endoribonuclease YicC

Details:

Mass: 33391.055 Da / Num. of mol.: 6 / Mutation: A187T
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Gene: yicC, orfX, b3644, JW3619 / Production host: Escherichia coli (E. coli)
References: UniProt: P23839, Hydrolases; Acting on ester bonds; Endoribonucleases producing 5'-phosphomonoesters

#2: Chemical

A-301 A-302 A-303 A-304 A-305 A-306 C-301 C-302 D-301 D-302 D-303 F-301
ChemComp-SO4 / SULFATE ION

Details:

Mass: 96.063 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: SO₄ / Feature type: SUBJECT OF INVESTIGATION

• Has ligand of interest: Y
• Has protein modification: N

Experimental details

Experiment

• Experiment: Method: X-RAY DIFFRACTION / Number of used crystals: 1

Sample preparation

• Crystal: Density Matthews: 2.89 ų/Da / Density % sol: 57.49 %
• Crystal grow: Temperature: 300 K / Method: vapor diffusion, hanging drop; Details: 0.1 M Tris pH 8.5, 25% PEG 3350, 0.3 M Lithium Sulfate

Data collection

• Diffraction: Mean temperature: 100 K / Serial crystal experiment: N
• Diffraction source: Source: SYNCHROTRON / Site: NSLS-II / Beamline: 17-ID-1 / Wavelength: 0.92141 Å
• Detector: Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Sep 30, 2021
• Radiation: Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.92141 Å / Relative weight: 1
• Reflection: Resolution: 2.797→48.449 Å / Num. obs: 37513 / % possible obs: 93 % / Redundancy: 4.6 % / CC_1/2: 0.996 / Net I/σ(I): 8.8
• Reflection shell: Resolution: 2.797→3.146 Å / Mean I/σ(I) obs: 1.5 / Num. unique obs: 1876 / CC_1/2: 0.539 / % possible all: 62.6

Processing

Software

Name	Version	Classification
PHENIX	1.20.1_4487	refinement
XDS		data scaling
XDS		data reduction
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.8→38.34 Å / SU ML: 0.39 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 33.33 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection
Rfree	0.267	1907	5.09 %
Rwork	0.2263	-	-
obs	0.2284	37486	65.8 %

• Solvent computation: Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 2.8→38.34 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13792	0	60	0	13852

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	14001
X-RAY DIFFRACTION	f_angle_d	0.378	18872
X-RAY DIFFRACTION	f_dihedral_angle_d	11.412	5460
X-RAY DIFFRACTION	f_chiral_restr	0.033	2144
X-RAY DIFFRACTION	f_plane_restr	0.002	2456

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
2.8-2.87	0.5742	8	0.6984	128	X-RAY DIFFRACTION	3
2.87-2.94	0.8468	18	0.4993	302	X-RAY DIFFRACTION	8
2.95-3.03	0.5011	18	0.4287	451	X-RAY DIFFRACTION	12
3.03-3.13	0.4902	30	0.383	748	X-RAY DIFFRACTION	19
3.13-3.24	0.3718	46	0.3398	1247	X-RAY DIFFRACTION	32
3.24-3.37	0.3582	98	0.31	2258	X-RAY DIFFRACTION	58
3.37-3.52	0.3098	189	0.2789	3341	X-RAY DIFFRACTION	87
3.52-3.71	0.3164	206	0.2749	3826	X-RAY DIFFRACTION	100
3.71-3.94	0.3001	206	0.2431	3840	X-RAY DIFFRACTION	100
3.94-4.25	0.2595	224	0.2081	3884	X-RAY DIFFRACTION	100
4.25-4.67	0.2537	216	0.2004	3835	X-RAY DIFFRACTION	100
4.67-5.35	0.2557	227	0.2116	3847	X-RAY DIFFRACTION	100
5.35-6.73	0.3313	191	0.2656	3912	X-RAY DIFFRACTION	100
6.73-38.34	0.2051	230	0.182	3960	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	1.4207	-1.3745	-0.3072	2.8501	0.3969	0.35	-0.3749	-1.5137	-0.6107	0.4044	0.8147	-0.4795	-0.0699	0.9945	-0.1481	0.6162	0.2534	-0.0629	1.176	0.0141	0.4925	30.58	11.25	64.758
2	5.3761	-2.1241	0.2558	2.7314	-0.5977	1.0854	-0.1076	0.1167	-1.2199	-0.2531	0.2646	-0.015	0.3122	0.6786	-0.0165	0.3138	0.2773	0.1996	0.794	-0.0278	0.3545	25.774	7.811	54.577
3	5.6334	-3.8389	0.0766	4.5648	1.6408	2.8313	-0.5111	-0.9454	-1.2056	-0.2366	0.4625	0.6702	0.5153	-0.386	-0.111	0.8587	0.0792	-0.0278	0.9029	0.2065	0.7454	25.713	-2.343	56.645
4	5.5682	-3.3092	0.027	2.8324	0.2955	0.9627	-0.3563	-1.8216	-0.3856	0.2392	0.732	-0.161	0.334	0.7272	-0.1504	0.5864	0.1971	0.0003	0.828	-0.0555	0.4035	27.082	6.469	58.668
5	4.1074	-1.5012	-0.2892	3.4293	0.4971	2.5274	-0.7013	-0.8525	-0.31	0.6454	-0.1011	0.1865	0.3326	-0.1636	-0.2663	0.4997	0.1514	-0.0052	0.7078	-0.1262	0.7701	65.161	-13.335	48.6
6	5.2318	-2.7475	-3.301	1.5017	1.5772	2.4159	-0.9758	-0.7928	-0.7126	0.6147	1.0971	-0.2472	0.439	0.9604	-0.1331	0.9845	0.4104	-0.053	1.3613	0.0961	0.8906	43.248	-7.145	61.611
7	1.4674	-0.0244	-0.3726	0.4567	0.8043	1.6692	-0.5609	-1.4683	0.0979	0.4926	-0.0258	0.1702	0.0475	0.1176	-2.1935	0.2251	0.5145	0.5854	1.0806	-0.3505	-0.3915	10.736	24.588	66.52
8	5.7161	-2.6493	1.8885	3.354	-1.2845	3.5154	-0.9618	-0.5055	1.0606	0.5383	-0.0479	0.8462	-0.7546	-0.867	0.0688	0.8374	0.2107	-0.2205	0.9166	-0.2651	1.5756	-24.898	50.253	54.79
9	3.7079	-3.1218	0.7673	4.1318	-1.1567	0.3347	-1.3363	-0.8895	-0.085	-0.676	0.2946	0.5373	-0.1905	-1.0378	0.1397	1.3288	0.3255	0.0528	1.3525	-0.2323	1.6837	-37.776	45.624	53.056
10	3.3459	0.1943	0.4875	1.6744	1.4859	1.868	-0.139	-0.6526	-0.1577	0.2391	0.0883	0.838	-0.202	-0.5982	0.3987	0.6914	0.3375	0.4031	1.0618	-0.0936	1.1617	-29.057	38.547	56.855
11	3.3032	-4.2088	1.1632	7.4184	-2.3602	3.1185	-0.2617	-1.1462	-0.9302	-0.1353	0.2304	1.1913	0.4099	-0.3897	0.3379	0.3671	0.3832	0.3235	1.266	0.0743	0.5004	-6.431	25.963	65.117
12	4.7621	-1.6971	0.4685	2.7888	0.3798	1.5579	-0.5117	-1.2204	0.3063	0.0742	0.2677	0.6135	-0.1409	0.1818	-0.0922	0.2802	0.1538	0.2055	0.4415	-0.1703	0.2594	-0.497	30.14	56.797
13	5.0483	-2.5018	-0.7251	1.3937	0.187	0.4411	0.1494	-1.2896	-1.5464	0.3362	0.2924	1.0872	0.3817	0.7612	-0.04	1.0791	0.1409	0.1976	1.1338	-0.0392	1.0988	23.837	-12.84	48.053
14	4.3731	-2.2177	0.2952	1.1308	-0.367	1.4215	0.4455	-0.229	1.0437	0.1294	0.2523	0.1574	-0.218	0.7809	-0.0971	1.4988	-0.0532	0.1027	0.8423	-0.1715	1.3247	23.173	-3.365	41.743
15	7.1002	-3.3524	-2.0494	3.8416	1.8005	2.6377	0.242	0.4279	-0.024	-0.0227	0.1474	0.142	0.207	0.5717	-0.1731	2.0562	0.0718	-0.0643	1.4108	-0.0965	1.4576	37.339	-7.277	38.585
16	5.7942	-2.1018	-0.322	2.0394	-0.3409	1.2793	-0.0496	0.1304	-0.6842	-0.4428	-0.0495	0.22	0.0867	0.3461	-0.0538	1.263	0.0534	0.107	1.1489	-0.2705	1.0803	28.365	-9.633	38.587
17	5.4837	-1.9146	-0.648	2.6921	0.2039	1.7027	-0.1504	0.4715	-0.4469	-0.4136	-0.0327	-0.3586	-0.1635	0.2658	-0.2065	0.9184	0.1772	0.0331	0.7892	-0.1515	0.4993	70.283	-12.764	33.975
18	7.5352	-2.8702	-1.2274	2.5523	0.3936	1.4567	-0.0695	0.7109	-1.9535	0.2645	-0.1955	0.8094	-0.2246	0.5569	0.0362	1.1313	0.1052	0.2173	1.1108	-0.2298	1.0671	31.682	-19.227	39.87
19	4.7774	-1.4287	-0.6361	1.3296	0.4786	1.5669	-0.0751	-0.9586	-0.8671	-0.3075	0.4724	1.096	0.5182	0.0157	0.2226	0.5038	-0.1094	0.3666	0.58	0.4231	1.3338	-6.754	4.475	57.377
20	6.4608	-3.6248	-0.9862	4.1794	0.831	2.0324	-0.6524	-0.8034	0.7358	-0.4065	0.6413	0.5279	-0.8622	-0.7111	-0.2565	1.3306	0.3724	0.4831	1.5879	0.5503	1.3558	-31.735	34.348	65.397
21	2.3184	1.6876	0.5822	2.3227	-0.3648	0.7148	-0.1589	-0.8346	-1.0516	0.3693	0.212	-0.5974	0.5242	0.4354	0.1281	1.1937	-0.1612	-0.0854	1.6481	-0.1828	2.0208	-37.132	29.862	55.265
22	4.2423	-3.9942	-2.0396	4.7181	2.7296	3.3184	-0.1077	0.4655	-1.047	-1.2626	-0.2586	0.4762	-0.1408	-0.5735	-0.2313	0.6321	-0.2612	-0.129	0.5666	0.1709	1.738	-16.691	9.868	50.304
23	3.9939	-0.1463	-1.8754	2.7771	-1.0767	1.3508	-0.4479	0.5765	-1.011	-0.3858	-0.5913	0.5925	1.0684	-0.1416	0.0099	1.3784	-0.2448	-0.1376	0.9436	-0.0855	1.6107	-0.841	-5.548	40.569
24	5.1009	-1.2639	-0.7063	2.4309	-0.4467	1.167	-0.0538	-0.2813	-0.5358	-1.5605	0.3107	0.8051	0.2524	-0.0655	-0.0556	0.5109	-0.0724	-0.0034	0.3557	0.1623	0.7725	-4.064	10.812	51.435
25	6.4305	-1.9004	1.7455	2.6018	-1.1698	1.8944	0.2653	-0.4277	1.7143	-0.6914	0.1914	-0.9589	0.0302	0.5602	-0.0059	0.3404	-0.0778	0.1538	0.5931	-0.3427	0.7921	33.493	35.345	48.103
26	3.5104	-0.2599	0.7065	3.3152	-0.8303	2.0374	-0.3759	0.3691	-0.363	-0.1607	0.0837	-0.3973	0.5091	0.1792	-0.2442	0.6864	0.1842	0.3269	0.4713	-0.1754	0.3869	15.853	30.526	46.467
27	5.7758	-2.273	1.0452	1.954	-0.941	1.586	0.1068	-0.3768	-0.5026	-0.036	0.3749	-0.0555	0.2608	0.8531	-0.1209	0.5043	0.0996	0.0772	0.6626	-0.2232	0.4969	26.961	26.314	53.815
28	2.3476	-2.9586	-0.2218	4.1219	-0.6734	2.2469	0.4491	0.4125	1.1405	-1.1925	-0.0696	-0.885	0.0679	0.8465	-0.1015	0.4727	0.0495	0.1393	0.7301	-0.0941	0.6423	39.929	25.816	47.12
29	3.5419	-1.5901	-0.0897	5.2607	-0.8715	2.2655	-0.4153	-0.7109	1.1328	0.935	-0.0371	-0.6052	-0.2783	0.0487	-0.1612	0.5222	0.315	-0.0575	1.2802	-0.3194	0.6876	64.762	-1.851	56.582
30	7.1051	-5.219	-1.0165	4.3247	0.394	0.3969	-0.1179	-0.8392	0.4822	0.3911	0.3119	-0.4546	0.002	0.3324	-0.1468	0.8285	-0.0719	-0.3998	2.0358	-1.0431	2.0679	51.343	16.788	58.76
31	6.1749	-1.9711	0.2106	3.0928	-0.3069	1.1783	-0.0834	0.2769	2.7853	-0.0457	0.0254	-0.6912	-0.4854	0.2158	-0.2113	0.5584	-0.0623	0.2736	0.1988	-0.2106	0.8943	13.367	46.295	45.725
32	6.9446	-0.6529	-0.6572	2.7002	-1.0642	2.3361	0.2104	0.6014	0.0237	-0.9189	0.3143	0.2656	0.2667	-1.1581	-0.078	0.9629	0.4005	0.0646	1.0396	0.0686	0.9851	-30.108	48.822	37.941
33	5.3368	-0.9562	-0.0365	4.7963	-0.3292	5.8535	0.2914	-0.089	-0.0709	0.056	-0.099	0.3108	0.2399	-0.5661	0.7126	0.9864	0.6608	-0.1469	0.4723	-0.3217	1.4728	-28.354	42.923	45.275
34	2.8564	-1.0115	0.1965	1.6477	0.0685	0.2809	-0.1003	-0.839	1.1869	0.2739	0.2518	-0.3401	-0.7807	0.1372	-0.0836	0.4591	0.3833	0.4596	0.06	-0.5849	1.375	1.48	50.034	51.078
35	5.2528	-2.4078	0.8756	2.9207	-0.8861	2.6451	0.6026	0.4128	0.8942	-0.5231	-0.2856	0.5013	0.1398	-0.248	-0.1672	0.577	0.1229	0.1719	0.3078	-0.0507	0.6324	-5.747	43.177	43.141
36	8.0122	-2.4818	0.7842	2.7291	-0.584	2.4212	0.4345	1.2443	0.7233	-0.6541	-0.0125	0.326	-0.344	-0.2269	-0.1129	0.733	-0.0026	0.1468	0.0827	-0.0271	0.8239	0.4	45.162	36.723
37	6.5297	1.0818	0.7938	2.0146	-0.0185	0.8059	0.3861	0.8547	0.2002	-0.2864	0.0404	-0.8243	-0.3867	0.053	0.0279	1.1099	-0.0371	0.0966	0.9144	-0.0014	0.7598	41.773	-0.429	14.438
38	5.9308	0.8041	2.089	2.2952	0.9886	0.9656	-0.4858	0.7256	1.3258	-0.4646	0.5362	-1.107	-0.0647	-0.0437	0.2337	0.9989	-0.1068	0.2322	0.6603	0.033	0.9056	36.334	5.211	14.733
39	2.0865	2.2108	1.8781	3.5631	2.3719	1.8082	-0.3543	0.8702	-0.6553	0.059	0.5687	-0.2634	0.3612	0.2069	-0.059	1.0306	0.0365	-0.2699	1.1245	-0.0345	1.2351	54.546	0.401	17.621
40	3.3227	1.068	1.1747	0.3809	0.3414	2.369	-0.7387	0.3999	1.1207	-0.1047	0.394	-0.3301	-1.6376	0.7624	-0.0553	1.2509	-0.0091	-0.203	0.7121	-0.0579	1.6662	75.314	11.723	36.409
41	5.5972	5.0917	5.1853	7.5446	5.3008	5.2373	-0.7378	1.3127	0.725	-0.8629	0.4777	-0.51	-0.7842	0.5673	-0.1641	1.7384	-1.0277	0.5136	2.0445	0.3717	1.9809	64.811	13.835	18.028
42	5.8395	-3.5336	2.0184	4.6461	1.0606	2.7891	-0.7663	1.6949	0.8654	-1.0209	0.9493	-0.8242	0.2622	0.0924	-0.0592	1.4517	-0.3616	0.3089	1.0707	0.0169	0.363	43.835	3.131	7.127
43	1.5637	0.5781	0.842	0.9191	0.7198	1.6681	-0.1706	0.906	-0.1291	-0.7438	-0.0559	0.2271	0.5178	-0.2793	-0.2923	1.4025	0.1527	-0.3743	1.4466	-0.4528	-0.0088	6.788	-18.942	-0.099
44	6.8389	2.05	2.4929	6.9353	-0.4299	4.0289	0.1554	0.75	-0.4369	-0.6568	-0.2166	0.2868	0.0203	0.0005	-0.0757	1.8643	-0.4878	-0.0852	1.6597	-0.7339	0.9563	-17.443	-28.34	4.873
45	4.916	2.0258	1.0053	1.3366	0.3415	0.9768	-0.3327	0.8102	0.7812	-0.154	0.0809	1.3252	-0.0373	-0.8919	0.2431	1.2189	0.0983	-0.3073	1.0552	-0.1778	1.1449	-19.688	-20.609	6.457
46	4.9152	1.3526	0.9647	1.6259	0.4551	1.7314	-0.1151	1.6837	0.6208	-0.6386	-0.0462	0.2624	-1.0136	0.0136	0.215	1.7115	0.1101	-0.2325	1.1436	0.0729	0.2261	11.175	-4.991	0.66
47	5.2718	1.8375	0.8612	3.2814	0.5401	1.6849	-0.363	0.5705	-0.2056	-0.0062	0.0362	0.2497	-0.1707	-0.109	0.0997	1.2014	0.0106	-0.2674	0.7173	-0.0188	0.4588	5.308	-12.884	10.106
48	6.0249	3.6005	0.9855	4.3684	0.7447	0.7439	0.4126	1.0616	-0.4087	0.1856	-0.148	-0.541	-0.7825	0.1237	-0.0891	1.2126	0.1091	-0.1249	0.932	-0.1254	0.3233	13.409	-17.158	9.111
49	5.3932	0.4443	3.3689	1.1809	1.0456	2.7207	-0.4174	1.2546	1.6654	-0.1929	0.407	0.2893	-0.8783	1.1315	0.5256	1.0888	0.2967	-0.1244	0.9881	-0.1503	0.7386	29.167	17.834	26.148
50	3.5585	2.736	2.7736	2.8865	1.2227	3.1442	-0.4208	0.3128	-0.3867	-0.422	0.1716	-0.7044	0.5341	1.1846	0.1789	1.1848	0.0036	0.1209	1.4995	-0.092	0.95	42.731	16.42	29.989
51	8.6521	1.4605	3.6649	2.0184	1.153	2.6999	0.5639	-0.9603	1.4731	-0.9022	-0.0715	-1.1008	0.4391	-0.1112	0.1424	0.9827	0.0415	0.0655	0.9945	-0.2716	1.0144	41.627	16.193	37.412
52	6.1395	3.9695	3.1195	3.3742	2.0798	1.5903	-1.3831	1.9911	0.9151	-0.4357	1.3215	-0.7508	-0.654	0.4185	-0.0078	1.6043	-0.4242	-0.01	1.4944	-0.4085	1.1507	64.778	22.32	34.875
53	3.4964	-0.3791	3.206	1.0736	-0.5321	5.3131	0.0932	-0.124	1.0094	-0.4873	0.5179	-0.2992	-0.5067	0.7398	-0.3012	0.6428	0.4218	-0.3203	0.8944	-0.4013	1.3878	69.419	11.756	51.614
54	2.9364	2.2935	3.3587	3.0264	2.4619	3.8912	-1.0334	0.1457	2.7599	-1.1313	-0.114	0.1727	-0.9915	0.2761	0.7613	1.2313	0.0228	-0.2922	0.7988	-0.1387	1.6301	47.837	26.342	36.196
55	3.7637	1.682	3.6926	1.8506	2.0666	3.8294	-1.1831	1.3328	2.0058	-0.8053	0.3974	0.7404	-1.0216	0.6947	0.6104	1.1705	0.0605	-0.2752	0.5375	0.2338	1.0067	13.158	14.748	15.927
56	7.4436	0.8032	3.1883	0.9603	1.3508	2.9695	-0.0441	-0.4896	0.0669	-0.1661	-0.4882	0.7883	-0.0388	0.1628	-0.1662	1.2471	-0.0746	-0.3324	2.0939	-0.0714	1.2347	-21.41	-7.869	1.514
57	5.1046	1.4077	-1.2747	3.782	2.165	2.3685	0.8345	-0.7339	-0.463	-0.3757	-0.1304	0.418	0.1962	-0.7246	-0.0693	2.2242	0.6736	-0.0239	1.6804	0.0062	1.6331	-22.756	-5.46	10.114
58	9.2988	3.3075	4.8678	2.1349	2.0643	2.9222	-0.2851	-0.7124	-0.0032	0.0208	-0.2424	0.6856	-0.2315	-0.3672	0.3343	0.9211	0.1841	0.1985	0.8003	-0.0341	0.742	-6.085	4.752	17.744
59	8.9918	1.7965	4.5496	2.4853	1.4748	4.1535	0.136	-1.1885	1.77	0.5843	-0.7335	0.3776	-0.2168	-1.0016	0.5569	1.4235	0.1149	0.1433	0.8701	-0.1278	0.8868	10.626	12.684	27.23
60	6.8383	2.0518	3.301	2.2033	1.4398	3.3605	-0.0564	0.4178	0.4038	0.3243	-0.0859	0.246	-0.2547	0.0942	-0.187	1.2369	0.1157	-0.1655	0.5397	0.1664	0.2783	9.34	3.292	15.558
61	1.7862	2.2439	0.2887	2.8542	0.15	1.3112	0.0183	0.7675	-2.1648	0.5293	-0.1092	-0.2274	0.8699	0.6443	-0.0162	0.9069	0.2672	-0.1908	0.7244	-0.3783	0.7467	32.788	-31.185	20.232
62	2.9856	2.6489	-1.3197	3.5825	0.3734	2.5202	-0.4459	1.3559	-2.7396	-0.3514	-0.2665	-1.4041	0.1276	0.5331	-0.0399	1.5727	0.131	-0.6401	1.3833	-0.2661	1.4392	55.377	-27.848	20.667
63	8.1756	1.7642	0.4045	1.2149	-0.5616	0.5349	0.0349	0.4362	0.2848	-0.2697	0.0654	-0.3018	-0.1035	0.5486	0.1309	1.0754	0.077	-0.0006	0.8527	-0.1644	0.5148	35.33	-19.571	18.263
64	7.6136	2.5081	0.575	1.8353	0.6096	0.3284	0.0336	0.6106	-0.2522	-0.8113	-0.1677	-0.0234	-0.2826	-0.0241	0.0842	1.7055	-0.0648	-0.0201	1.0066	0.0578	1.0598	72.372	-6.126	24.249
65	9.1324	2.7231	1.0696	2.7471	0.48	1.5711	-0.5379	-0.0768	0.8674	-0.6925	0.18	-0.2216	-0.2588	0.0709	0.0982	0.8966	0.0085	-0.2064	0.7056	0.0351	1.1697	76.942	1.88	33.338
66	7.4478	0.9241	-0.3212	1.7098	-0.0492	1.2531	-0.0736	0.638	-2.5463	-0.1478	-0.0743	-0.1827	0.1523	0.0065	0.0733	1.0343	0.1747	-0.0631	0.5243	-0.3412	0.7032	12.549	-33.386	18.474
67	2.0088	2.0061	2.0016	2.0044	1.9967	1.9988	-0.5247	-0.6561	1.2014	0.4608	-0.4432	0.4399	0.0032	-0.1855	0.9949	2.2648	0.0152	-0.0989	1.7189	-0.8679	1.4834	-32.956	-23.156	22.833
68	7.1037	3.4143	-6.3733	5.7616	-3.7328	5.8263	0.5653	0.2119	1.2406	-0.5282	0.3182	1.423	0.336	-0.1897	1.0768	0.9335	-0.2971	-0.2316	1.2419	-0.6562	1.193	-26.459	-18.694	15.079
69	7.5148	-0.9271	-4.1157	2.7137	-0.5083	2.6504	0.6582	1.0687	-0.3124	-0.1956	-0.2386	0.2424	-0.514	-0.4044	0.973	1.0428	0.014	-0.3211	0.7192	-0.5807	0.9817	-12.29	-31.922	14.431
70	6.3683	2.5361	0.537	1.9502	-0.9523	1.5293	-0.0154	0.8658	-1.0674	-0.0259	0.2818	0.0211	0.1431	-0.023	0.129	0.9137	0.0769	-0.0458	0.5201	-0.2959	0.6209	2.06	-32.586	18.908
71	1.1147	-0.256	-0.7775	3.9567	1.1347	3.4027	0.105	0.1328	-0.5379	0.6873	-0.1042	0.1408	-0.3157	-0.2614	0.6959	1.264	0.2159	0.2448	0.176	-0.4141	0.7198	14.971	-29.095	22.455

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	( CHAIN A AND RESID 1:19 )	A	1 - 19
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 20:42 )	A	20 - 42
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 43:51 )	A	43 - 51
4	X-RAY DIFFRACTION	4	( CHAIN A AND RESID 52:71 )	A	52 - 71
5	X-RAY DIFFRACTION	5	( CHAIN A AND RESID 72:115 )	A	72 - 115
6	X-RAY DIFFRACTION	6	( CHAIN A AND RESID 116:129 )	A	116 - 129
7	X-RAY DIFFRACTION	7	( CHAIN A AND RESID 130:174 )	A	130 - 174
8	X-RAY DIFFRACTION	8	( CHAIN A AND RESID 175:193 )	A	175 - 193
9	X-RAY DIFFRACTION	9	( CHAIN A AND RESID 194:202 )	A	194 - 202
10	X-RAY DIFFRACTION	10	( CHAIN A AND RESID 203:210 )	A	203 - 210
11	X-RAY DIFFRACTION	11	( CHAIN A AND RESID 211:236 )	A	211 - 236
12	X-RAY DIFFRACTION	12	( CHAIN A AND RESID 237:287 )	A	237 - 287
13	X-RAY DIFFRACTION	13	( CHAIN B AND RESID 1:17 )	B	1 - 17
14	X-RAY DIFFRACTION	14	( CHAIN B AND RESID 18:36 )	B	18 - 36
15	X-RAY DIFFRACTION	15	( CHAIN B AND RESID 37:41 )	B	37 - 41
16	X-RAY DIFFRACTION	16	( CHAIN B AND RESID 42:72 )	B	42 - 72
17	X-RAY DIFFRACTION	17	( CHAIN B AND RESID 77:120 )	B	77 - 120
18	X-RAY DIFFRACTION	18	( CHAIN B AND RESID 121:139 )	B	121 - 139
19	X-RAY DIFFRACTION	19	( CHAIN B AND RESID 140:183 )	B	140 - 183
20	X-RAY DIFFRACTION	20	( CHAIN B AND RESID 184:195 )	B	184 - 195
21	X-RAY DIFFRACTION	21	( CHAIN B AND RESID 196:204 )	B	196 - 204
22	X-RAY DIFFRACTION	22	( CHAIN B AND RESID 205:232 )	B	205 - 232
23	X-RAY DIFFRACTION	23	( CHAIN B AND RESID 233:240 )	B	233 - 240
24	X-RAY DIFFRACTION	24	( CHAIN B AND RESID 241:287 )	B	241 - 287
25	X-RAY DIFFRACTION	25	( CHAIN C AND RESID 1:24 )	C	1 - 24
26	X-RAY DIFFRACTION	26	( CHAIN C AND RESID 25:32 )	C	25 - 32
27	X-RAY DIFFRACTION	27	( CHAIN C AND RESID 33:62 )	C	33 - 62
28	X-RAY DIFFRACTION	28	( CHAIN C AND RESID 63:72 )	C	63 - 72
29	X-RAY DIFFRACTION	29	( CHAIN C AND RESID 76:116 )	C	76 - 116
30	X-RAY DIFFRACTION	30	( CHAIN C AND RESID 117:122 )	C	117 - 122
31	X-RAY DIFFRACTION	31	( CHAIN C AND RESID 123:178 )	C	123 - 178
32	X-RAY DIFFRACTION	32	( CHAIN C AND RESID 179:191 )	C	179 - 191
33	X-RAY DIFFRACTION	33	( CHAIN C AND RESID 192:217 )	C	192 - 217
34	X-RAY DIFFRACTION	34	( CHAIN C AND RESID 218:237 )	C	218 - 237
35	X-RAY DIFFRACTION	35	( CHAIN C AND RESID 238:262 )	C	238 - 262
36	X-RAY DIFFRACTION	36	( CHAIN C AND RESID 263:287 )	C	263 - 287
37	X-RAY DIFFRACTION	37	( CHAIN D AND RESID 1:44 )	D	1 - 44
38	X-RAY DIFFRACTION	38	( CHAIN D AND RESID 45:65 )	D	45 - 65
39	X-RAY DIFFRACTION	39	( CHAIN D AND RESID 66:70 )	D	66 - 70
40	X-RAY DIFFRACTION	40	( CHAIN D AND RESID 71:116 )	D	71 - 116
41	X-RAY DIFFRACTION	41	( CHAIN D AND RESID 117:122 )	D	117 - 122
42	X-RAY DIFFRACTION	42	( CHAIN D AND RESID 123:147 )	D	123 - 147
43	X-RAY DIFFRACTION	43	( CHAIN D AND RESID 148:180 )	D	148 - 180
44	X-RAY DIFFRACTION	44	( CHAIN D AND RESID 181:184 )	D	181 - 184
45	X-RAY DIFFRACTION	45	( CHAIN D AND RESID 185:218 )	D	185 - 218
46	X-RAY DIFFRACTION	46	( CHAIN D AND RESID 219:237 )	D	219 - 237
47	X-RAY DIFFRACTION	47	( CHAIN D AND RESID 238:264 )	D	238 - 264
48	X-RAY DIFFRACTION	48	( CHAIN D AND RESID 265:287 )	D	265 - 287
49	X-RAY DIFFRACTION	49	( CHAIN E AND RESID 1:9 )	E	1 - 9
50	X-RAY DIFFRACTION	50	( CHAIN E AND RESID 10:37 )	E	10 - 37
51	X-RAY DIFFRACTION	51	( CHAIN E AND RESID 38:66 )	E	38 - 66
52	X-RAY DIFFRACTION	52	( CHAIN E AND RESID 67:81 )	E	67 - 81
53	X-RAY DIFFRACTION	53	( CHAIN E AND RESID 82:122 )	E	82 - 122
54	X-RAY DIFFRACTION	54	( CHAIN E AND RESID 123:137 )	E	123 - 137
55	X-RAY DIFFRACTION	55	( CHAIN E AND RESID 138:178 )	E	138 - 178
56	X-RAY DIFFRACTION	56	( CHAIN E AND RESID 179:200 )	E	179 - 200
57	X-RAY DIFFRACTION	57	( CHAIN E AND RESID 201:205 )	E	201 - 205
58	X-RAY DIFFRACTION	58	( CHAIN E AND RESID 206:226 )	E	206 - 226
59	X-RAY DIFFRACTION	59	( CHAIN E AND RESID 227:251 )	E	227 - 251
60	X-RAY DIFFRACTION	60	( CHAIN E AND RESID 252:287 )	E	252 - 287
61	X-RAY DIFFRACTION	61	( CHAIN F AND RESID 1:13 )	F	1 - 13
62	X-RAY DIFFRACTION	62	( CHAIN F AND RESID 14:20 )	F	14 - 20
63	X-RAY DIFFRACTION	63	( CHAIN F AND RESID 21:68 )	F	21 - 68
64	X-RAY DIFFRACTION	64	( CHAIN F AND RESID 69:94 )	F	69 - 94
65	X-RAY DIFFRACTION	65	( CHAIN F AND RESID 95:117 )	F	95 - 117
66	X-RAY DIFFRACTION	66	( CHAIN F AND RESID 118:190 )	F	118 - 190
67	X-RAY DIFFRACTION	67	( CHAIN F AND RESID 191:192 )	F	191 - 192
68	X-RAY DIFFRACTION	68	( CHAIN F AND RESID 203:209 )	F	203 - 209
69	X-RAY DIFFRACTION	69	( CHAIN F AND RESID 210:220 )	F	210 - 220
70	X-RAY DIFFRACTION	70	( CHAIN F AND RESID 221:279 )	F	221 - 279
71	X-RAY DIFFRACTION	71	( CHAIN F AND RESID 280:287 )	F	280 - 287