PDB-2ypy: KSHV LANA (ORF73) C-terminal domain, decameric ring: monoclinic c...

ID or keywords:

Entry

Database: PDB / ID: 2ypy

Title

KSHV LANA (ORF73) C-terminal domain, decameric ring: monoclinic crystal form

Components

ORF 73

Keywords

VIRAL PROTEIN /

VIRAL PROTEIN N / LATENCY-ASSOCIATED NUCLEAR ANTIGEN / LANA-1 /

DNA-BINDING DOMAIN / ORIGIN-BINDING DOMAIN /

OLIGOMERIZATION DOMAIN /

KAPOSI'S SARCOMA-ASSOCIATED HERPESVIRUS /

GAMMAHERPESVIRUS /

RHADINOVIRUS /

PRIMARY EFFUSION LYMPHOMA / MULTICENTRIC CASTLEMAN'S DISEASE /

TUMOR VIRUS /

CANCER /

MURID HERPESVIRUS 4 / MUHV-4 /

MURID HERPESVIRUS 68 / MHV-68

Function / homology

Function and homology information

host cell nucleus /

Biological species

HUMAN HERPESVIRUS 8 TYPE M

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.453 Å

Authors

Hellert, J. / Krausze, J. / Luhrs, T.

Citation

Journal: Plos Pathog. / Year: 2013
Title: A Structural Basis for Brd2/4-Mediated Host Chromatin Interaction and Oligomer Assembly of Kaposi Sarcoma-Associated Herpesvirus and Murine Gammaherpesvirus Lana Proteins.
Authors: Hellert, J. / Weidner-Glunde, M. / Krausze, J. / Richter, U. / Adler, H. / Fedorov, R. / Pietrek, M. / Ruckert, J. / Ritter, C. / Schulz, T.F. / Luhrs, T.

History

Deposition	Nov 2, 2012	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Nov 13, 2013	Provider: repository / Type: Initial release
Revision 1.1	Jan 29, 2014	Group: Atomic model / Derived calculations / Other
Revision 1.2	Jul 12, 2017	Group: Refinement description / Category: software / Item: _software.name
Revision 1.3	May 8, 2019	Group: Data collection / Experimental preparation Category: database_PDB_rev / database_PDB_rev_record / exptl_crystal_grow Item: _exptl_crystal_grow.method
Revision 1.4	May 15, 2019	Group: Data collection / Experimental preparation / Category: exptl_crystal_grow / struct_biol / Item: _exptl_crystal_grow.temp
Revision 1.5	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 / 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 / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Remark 650

HELIX DETERMINATION METHOD: AUTHOR PROVIDED.

Remark 700

SHEET DETERMINATION METHOD: AUTHOR PROVIDED.

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/yp/2ypy ftp://data.pdbj.org/pub/pdb/validation_reports/yp/2ypy	HTTPS FTP

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Related structure data

Related structure data	2ypzC 2yq0C 2yq1C C: citing same article (ref.)
Similar structure data	336 6r88-4 4j4b-2 2ypz-4 4wbl-d 4qd9-1 5twt-d 4k2j-6 4k2j-2 6hke-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) 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

2ypzC

2yq0C

2yq1C

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	#234 - Jun 2019 MDM2 and Cancer similarity (1)

Deposited unit

A: ORF 73

B: ORF 73

C: ORF 73

D: ORF 73

E: ORF 73

F: ORF 73

G: ORF 73

H: ORF 73

I: ORF 73

J: ORF 73

hetero molecules

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

1

G: ORF 73

H: ORF 73

hetero molecules

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

2

C: ORF 73

D: ORF 73

hetero molecules

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

3

A: ORF 73

B: ORF 73

hetero molecules

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

4

E: ORF 73

F: ORF 73

hetero molecules

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

5

I: ORF 73

J: ORF 73

hetero molecules

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

Unit cell

Length a, b, c (Å)	51.740, 175.920, 97.580
Angle α, β, γ (deg.)	90.00, 95.50, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS oper:

ID	Code	Matrix	Vector
1	given	(-0.97087, 0.23744, -0.03226), (0.23829, 0.97086, -0.02556), (0.02525, -0.03251, -0.99915)	-7.72194, 1.54154, 46.63824
2	given	(0.78962, -0.58409, -0.18799), (0.43692, 0.3201, 0.84062), (-0.43082, -0.7459, 0.50796)	15.20937, -3.9693, 27.42522
3	given	(-0.90219, -0.37936, 0.20527), (-0.35558, 0.38475, -0.85178), (0.24416, -0.84146, -0.48201)	-0.89931, 32.4483, 53.44727
4	given	(0.47051, -0.44991, -0.75908), (0.17101, -0.79744, 0.57865), (-0.86566, -0.40207, -0.29827)	22.59273, 26.13844, 39.58228
5	given	(-0.54613, -0.29695, 0.7833), (-0.37103, -0.75259, -0.544), (0.75105, -0.58773, 0.30084)	-18.18731, 50.25551, 32.55391
6	given	(0.49212, -0.02722, -0.8701), (-0.61518, -0.71807, -0.32547), (-0.61594, 0.69544, -0.37012)	23.05519, 40.22154, 14.04392
7	given	(-0.49308, 0.13057, 0.86013), (0.42245, -0.82836, 0.36792), (0.76053, 0.54477, 0.35329)	-22.50047, 28.23276, 2.79595
8	given	(0.74972, 0.42468, -0.5075), (-0.65123, 0.33726, -0.67982), (-0.11755, 0.84018, 0.52942)	0.72756, 27.86555, -6.84326
9	given	(-0.61854, 0.61803, 0.48523), (0.71204, 0.17973, 0.67874), (0.33227, 0.76533, -0.55124)	-28.99893, 2.81809, 20.41314

#1: Protein	ORF 73 / KSHV LANA Mass: 15760.201 Da / Num. of mol.: 10 / Fragment: C-TERMINAL DOMAIN, RESIDUES 1013-1149 Source method: isolated from a genetically manipulated source Source: (gene. exp.) HUMAN HERPESVIRUS 8 TYPE M / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q76SB0
#2: Chemical	... ChemComp-CL / CHLORIDE ION / Chloride Mass: 35.453 Da / Num. of mol.: 24 / Source method: obtained synthetically / Formula: Cl
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 149 / 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: 2.81 Å³/Da / Density % sol: 56.24 % Description: DATA WERE PHASED THROUGH SELENO-SAD. STRUCTURE WAS THEN REFINED AGAINST A NATIVE DATA SET. INCOMPLETE HIGH- RESOLUTION DATA WERE INCLUDED. DATA SHOW REASONABLE COMPLETENESS UP TO 2.7 A.
Crystal grow	Temperature: 285 K / Method: vapor diffusion, hanging drop / pH: 9 Details: 1.5 UL OF 2.0 MM PROTEIN IN 5 MM BISTRIS, PH 6.5, 10 MM DTT WERE ADDED TO 1.5 UL OF 0.1 M SODIUM BICINE, PH 9.0, 1.0 M LITHIUM CHLORIDE, 7 % (W/V) PEG 6000. THE MIXTURE WAS INCUBATED AT 12 ...Details: 1.5 UL OF 2.0 MM PROTEIN IN 5 MM BISTRIS, PH 6.5, 10 MM DTT WERE ADDED TO 1.5 UL OF 0.1 M SODIUM BICINE, PH 9.0, 1.0 M LITHIUM CHLORIDE, 7 % (W/V) PEG 6000. THE MIXTURE WAS INCUBATED AT 12 DEGREES CENTIGRADE IN A HANGING DROP SETUP. CRYSTALS GREW IN A FEW DAYS AND WERE CRYO-PROTECTED BY SHORT SOAKING IN 0.1 M SODIUM BICINE, PH 9.0, 1.0 M LITHIUM CHLORIDE, 7 % (W/V) PEG 6000, 25 % (V/V) GLYCEROL.

Crystal

Density Matthews: 2.81 Å³/Da / Density % sol: 56.24 %
Description: DATA WERE PHASED THROUGH SELENO-SAD. STRUCTURE WAS THEN REFINED AGAINST A NATIVE DATA SET. INCOMPLETE HIGH- RESOLUTION DATA WERE INCLUDED. DATA SHOW REASONABLE COMPLETENESS UP TO 2.7 A.

Crystal grow

Temperature: 285 K / Method: vapor diffusion, hanging drop / pH: 9
Details: 1.5 UL OF 2.0 MM PROTEIN IN 5 MM BISTRIS, PH 6.5, 10 MM DTT WERE ADDED TO 1.5 UL OF 0.1 M SODIUM BICINE, PH 9.0, 1.0 M LITHIUM CHLORIDE, 7 % (W/V) PEG 6000. THE MIXTURE WAS INCUBATED AT 12 ...

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

BESSY

/ Beamline: 14.2 / Wavelength: 1.07208, 0.97974

Detector

Type: MARRESEARCH / Detector: CCD / Date: Jun 6, 2012 / Details: MIRRORS

Radiation

Monochromator: SI(111) DOUBLE CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	1.07208	1
2	0.97974	1

Reflection

Resolution: 2.45→20 Å / Num. obs: 54311 / % possible obs: 85.7 % / Observed criterion σ(I): 2 / Redundancy: 3.8 % / B_iso Wilson estimate: 51.04 Å² / R_merge(I) obs: 0.05 / Net I/σ(I): 16.24

Reflection shell

Resolution: 2.45→2.53 Å / Redundancy: 3.6 % / R_merge(I) obs: 0.48 / Mean I/σ(I) obs: 2.6 / % possible all: 21.7

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Processing

Software

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

Refinement

Method to determine structure:

SAD
Starting model: NONE

Resolution: 2.453→19.652 Å / SU ML: 0.4 / σ(F): 1.99 / Phase error: 30.06 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2522	2762	5.1 %
R_work	0.2207	-	-
obs	0.2224	54308	85.89 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 38.946 Å² / k_sol: 0.331 e/Å³

Displacement parameters

B_iso mean: 71.9 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.3303 Å²	-0 Å²	-1.5344 Å²
2-	-	2.0336 Å²	0 Å²
3-	-	-	-2.4059 Å²

Refinement step

Cycle: LAST / Resolution: 2.453→19.652 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10819	0	24	149	10992

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	11249
X-RAY DIFFRACTION	f_angle_d	0.645	15274
X-RAY DIFFRACTION	f_dihedral_angle_d	10.115	4286
X-RAY DIFFRACTION	f_chiral_restr	0.045	1507
X-RAY DIFFRACTION	f_plane_restr	0.004	2002

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 (%)
2.4532-2.4954	0.4157	16	0.3169	513	X-RAY DIFFRACTION	17
2.4954-2.5407	0.3659	58	0.3232	1060	X-RAY DIFFRACTION	36
2.5407-2.5895	0.4019	90	0.3464	1518	X-RAY DIFFRACTION	50
2.5895-2.6422	0.3438	109	0.3423	1895	X-RAY DIFFRACTION	65
2.6422-2.6995	0.3571	109	0.3435	2240	X-RAY DIFFRACTION	74
2.6995-2.7622	0.3291	128	0.3296	2525	X-RAY DIFFRACTION	84
2.7622-2.831	0.3536	160	0.3303	2818	X-RAY DIFFRACTION	95
2.831-2.9073	0.3687	169	0.338	2975	X-RAY DIFFRACTION	100
2.9073-2.9926	0.3445	167	0.3223	2984	X-RAY DIFFRACTION	100
2.9926-3.0888	0.2967	153	0.2907	3005	X-RAY DIFFRACTION	100
3.0888-3.1988	0.3032	149	0.2688	3017	X-RAY DIFFRACTION	100
3.1988-3.3263	0.2822	174	0.2523	2950	X-RAY DIFFRACTION	100
3.3263-3.4769	0.278	159	0.2342	3035	X-RAY DIFFRACTION	100
3.4769-3.6591	0.2423	161	0.2246	3002	X-RAY DIFFRACTION	100
3.6591-3.8867	0.247	146	0.2159	2984	X-RAY DIFFRACTION	100
3.8867-4.1841	0.2209	153	0.1895	2992	X-RAY DIFFRACTION	100
4.1841-4.6003	0.1882	179	0.1651	2998	X-RAY DIFFRACTION	100
4.6003-5.2548	0.2083	164	0.1702	3008	X-RAY DIFFRACTION	100
5.2548-6.579	0.2308	158	0.1995	3028	X-RAY DIFFRACTION	100
6.579-19.6525	0.2084	160	0.1578	2999	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	8.6945	-1.3085	5.4211	1.8381	-1.2176	4.5024	-0.5023	0.4144	0.002	-0.847	0.1535	-0.8398	0.4719	1.5643	0.1895	0.434	0.1181	0.292	1.0558	-0.3238	0.8801	17.2683	68.5409	22.1111
2	2.3921	-0.7129	0.4876	5.7188	0.0679	2.5559	0.1762	-0.3749	0.4863	-0.2949	0.3428	-0.933	0.9039	1.6068	-0.2576	0.5076	0.1128	-0.0736	1.1556	-0.1405	0.8542	21.2196	61.0465	34.5707
3	3.8525	-0.2836	0.046	-0.0039	0.0011	-0.0298	0.4949	0.2989	-0.7888	-0.432	-0.0265	-0.6252	0.1751	1.1824	-0.281	1.2029	0.4742	-0.1336	1.0238	-0.3381	1.4845	18.3654	48.8642	19.5263
4	2.6301	0.3072	0.5258	4.0334	2.0044	5.2389	0.294	-0.3371	-0.6928	0.124	0.1316	-0.4509	0.2196	0.254	-0.2813	0.5147	0.1893	-0.0761	0.3831	-0.008	0.4332	5.9477	63.2591	29.4511
5	1.6677	0.3818	0.0555	3.8661	0.4376	2.9159	0.5166	-0.2094	-1.0216	0.7237	-0.4483	-0.5377	0.8159	0.0142	-0.0701	0.7947	0.3158	-0.2036	0.5402	0.0338	0.7436	7.5891	56.8872	32.6206
6	3.3996	1.4351	0.6525	3.196	1.8145	4.9821	0.4189	-1.1764	-0.915	0.5776	-0.5553	0.1894	0.6783	0.1544	0.0587	1.0717	0.155	-0.3599	0.6515	0.367	0.6303	5.8402	57.9051	37.0982
7	2.8573	1.3788	0.7691	6.0532	1.4952	4.4381	-0.284	0.4123	-0.5785	-0.5161	0.1252	-0.5729	0.2957	0.9934	0.0415	-0.7035	2.5753	1.6883	-1.9692	-2.5529	-0.5326	10.3966	52.6245	14.6398
8	3.4675	2.933	4.4037	3.4065	1.7199	8.8665	-0.3236	-0.2404	0.8122	0.0307	-0.1732	0.674	-0.5166	-0.4047	0.3448	0.5092	0.2385	0.0422	0.5543	-0.0978	0.503	-8.8636	71.8652	22.4328
9	4.312	2.1158	0.6771	6.0853	1.1599	2.8626	-0.1059	0.3975	0.3373	-0.5267	0.0658	0.855	-0.4112	-0.8632	0.009	0.5865	0.1942	-0.0998	0.5666	-0.1099	0.3636	-15.2138	64.979	10.7123
10	5.3971	1.7972	-0.486	1.28	1.2773	2.9837	0.2336	-0.6069	-0.1628	0.268	0.1552	0.3306	-0.3388	-0.574	-0.2536	0.8811	-0.0126	0.3206	0.8015	0.0535	0.6003	-14.2745	53.1133	25.5645
11	5.6819	0.716	-0.5341	2.7388	0.0185	3.6596	0.0111	0.0543	0.0214	-0.1884	0.1722	-0.1053	0.2393	0.1942	-0.201	0.3705	0.05	0.0025	0.209	-0.1023	0.3131	-3.33	64.2008	14.3239
12	4.3862	0.1885	-1.0657	3.9149	-0.6594	4.3236	0.2137	-0.0521	-0.3194	0.005	0.1064	-0.8785	0.2503	0.9062	-0.1736	0.5072	0.1207	-0.0191	0.4101	-0.1908	0.4953	7.3093	61.9081	17.3077
13	3.2659	0.0072	0.1413	1.2362	0.0079	4.1417	-0.1745	0.4014	-0.6363	-0.3227	0.1505	0.1175	0.2344	0.0369	0.0921	0.7298	-0.0288	-0.005	0.2434	-0.1415	0.5401	-6.0291	57.213	6.4
14	3.2248	-0.7533	-1.1942	3.8712	-0.4451	6.9972	0.0575	0.0051	-0.9419	0.8719	0.125	0.3504	0.42	-0.9337	-0.2955	0.7944	-0.0304	0.0103	0.4161	0.0263	0.6206	-4.8017	54.6067	25.5381
15	0.3409	-0.2538	0.6514	5.0073	2.5168	2.7193	0.0898	0.2932	-0.391	-0.2536	0.5864	-0.2922	-0.8517	0.6915	-0.4016	1.2008	-0.2116	0.066	1.1242	0.0115	1.3454	-14.0732	47.5134	-19.5786
16	2.6831	2.8748	0.0433	3.9618	0.1072	2.4421	-0.165	0.0046	-0.427	-0.5244	0.1794	-0.8977	-0.9679	0.7487	0.0471	0.69	-0.0888	0.1248	0.5588	-0.1721	0.603	-7.1257	47.3847	-7.2963
17	2.4822	-0.1635	1.7262	5.2761	-3.3114	5.1905	-0.3945	-0.0713	0.5408	-0.2859	0.2711	0.0392	-1.0513	-0.0163	0.0529	0.6474	0.0651	-0.1126	0.3341	-0.1224	0.4661	-22.5759	47.0081	-7.1181
18	0.6935	-1.4494	1.3488	4.645	-0.5633	5.2378	-0.4987	-0.0408	-0.4871	-0.4282	0.4887	1.0352	-0.2953	-0.9145	-0.1055	0.4169	0.0391	-0.0745	0.5174	-0.0874	0.5738	-26.1942	40.5193	-7.3954
19	2.3697	0.6503	0.4675	6.3918	0.9813	4.9384	-0.2094	-0.3885	0.147	-0.1536	0.0645	-0.1482	-0.5071	0.4912	0.1925	0.3485	0.0593	-0.0568	0.4597	-0.0908	0.3689	-15.2551	43.1718	-2.5462
20	2.368	0.2521	1.2972	3.6193	2.4617	2.716	0.6314	-0.0247	-0.4603	0.327	-0.2233	1.0625	0.4796	-0.5955	-0.3835	0.8423	-0.1078	-0.322	0.8447	0.0621	1.2173	-39.142	30.7211	-11.2227
21	3.1494	0.1044	0.2706	4.2607	-0.702	5.8438	-0.1714	-0.4876	-0.6012	-0.0683	0.0214	1.3154	-0.2435	-0.9351	0.3391	0.3566	-0.0282	0.0375	0.4755	0.0203	0.7552	-34.6556	17.6804	-8.2117
22	1.5109	0.6749	-1.6783	1.2844	-0.6602	1.8782	-0.0698	-0.7565	0.1719	0.8842	-0.674	0.8866	0.3831	-0.9018	0.243	0.7732	-0.089	0.2867	0.9851	0.0013	0.8788	-32.0933	28.128	7.1836
23	3.347	-0.1861	0.648	3.4465	0.8271	3.6238	-0.1986	-0.0829	-0.1191	-0.5494	0.3069	0.4696	0.0141	-0.4204	-0.0527	0.4186	-0.0425	-0.179	0.2636	0.0706	0.5182	-27.4154	26.9895	-11.0334
24	3.1197	-0.5619	2.2866	4.7923	1.7249	5.4544	-0.4697	1.3797	1.2374	-1.4284	0.3628	-0.8855	-1.0529	1.3798	-0.1988	1.0178	-0.2574	-0.0141	0.645	0.1074	0.7431	-14.0824	36.9761	-18.9343
25	3.1855	1.9824	0.8002	5.6666	1.0791	3.4831	-0.0205	-0.559	-0.3348	-0.1437	0.0658	0.3077	0.2313	-0.399	-0.1115	0.3293	0.0151	-0.0103	0.3828	0.1207	0.4791	-24.1314	24.7265	-5.2026
26	4.1648	-0.8588	1.1475	3.8292	0.4709	1.3046	0.436	0.6062	-0.1845	-0.2084	-0.1434	-0.1547	0.7891	0.1979	0.0114	0.3823	-0.4184	0.5144	0.7795	0.6774	-0.1823	-17.0668	-12.8287	-9.254
27	2.0174	1.4691	0.3304	4.0626	0.4385	3.0641	0.173	0.9852	0.6236	-1.1228	-0.053	-0.4152	0.491	0.1464	-0.1583	0.5642	-0.2124	-0.0078	0.3504	0.2643	0.6883	-20.9302	1.048	-13.7809
28	3.5445	-0.6908	0.4201	3.5377	-0.1278	3.9346	0.3437	0.1362	0.0395	0.4259	-0.3147	-0.9259	-0.1501	0.1223	0.1187	0.0593	-0.7564	0.1271	0.2991	0.3707	0.5519	-15.2602	-0.1159	0.4993
29	2.2692	1.1147	-0.9847	1.9871	-0.9826	1.8089	0.2359	0.4351	0.0914	-0.5862	0.1843	0.2675	0.1338	-0.0457	-0.1508	0.5103	-0.165	0.0172	0.3333	0.0883	0.3806	-23.4423	-5.5874	-6.4077
30	1.6725	-1.872	1.0896	2.979	1.0321	4.4289	-0.3989	-1.8745	0.3543	1.1774	0.0132	0.3667	0.2728	-1.2669	0.1115	0.3718	-0.703	0.3482	0.1836	0.376	0.3238	-26.9177	-8.7962	6.4883
31	2.277	-1.707	0.4481	3.7496	-1.2837	2.7429	0.0594	-0.3351	0.409	-0.1543	0.2184	0.4476	-1.0161	-1.099	-0.1643	0.412	-0.1918	0.0476	0.3118	0.1399	0.8049	-26.9156	5.9261	-3.513
32	5.5473	-0.522	1.9283	3.7998	-0.1475	2.9795	-0.0124	0.2178	0.8058	-0.0725	-0.1478	-0.6659	0.1205	0.5338	0.0749	0.3378	-0.1544	0.0247	0.4576	0.1135	0.4592	-11.9175	-3.1968	4.3174
33	0.3441	-0.4275	0.0397	1.1415	0.3347	0.2025	-0.0166	-0.4216	-0.3488	0.1174	0.4826	0.1809	0.5033	-1.2614	-0.4708	1.3799	-0.3076	-0.0073	1.2647	0.2274	0.8936	-28.4087	-22.8561	14.5533
34	2.2474	-0.1098	-0.0979	4.7214	-1.5957	3.6051	0.034	-0.9523	-0.3453	0.6702	-0.1315	0.2703	0.2893	-0.4307	-0.1163	0.7563	-0.2932	-0.0515	0.7959	0.0998	0.3736	-20.0802	-13.4887	20.7998
35	2.5017	1.0322	-1.299	0.9197	-1.8492	7.2485	0.5654	-0.5559	-0.0057	0.3374	-0.4325	0.1078	1.8963	-0.873	-0.0477	0.8155	-0.3535	-0.0215	0.686	0.2295	0.2626	-20.6794	-18.4452	12.6468
36	3.0064	-0.7915	0.5091	3.1628	-0.6709	3.7602	0.0648	-0.6615	-0.0173	0.3551	-0.0463	-0.1373	0.3351	0.1602	0.0708	0.5429	-0.202	0.0024	0.5136	0.0843	0.2846	-14.7995	-11.5086	12.0648
37	1.6719	-0.3934	-0.5226	2.1949	0.1893	0.1608	0.3715	0.55	-0.6356	-0.7055	0.3599	-0.2043	0.0772	0.1146	-0.2774	1.6597	-0.0243	-0.0295	1.5243	-0.3618	1.2198	9.2044	-28.9114	40.3905
38	1.7669	-0.9299	0.1717	1.6037	0.6469	0.4814	-0.0505	0.2614	-0.3945	-0.6672	-0.315	-0.1778	0.2871	0.1972	0.0941	1.2764	-0.0988	-0.1915	1.2862	-0.3225	0.7958	-0.4063	-28.0457	30.7395
39	0.03	-0.0014	0.0013	-0.0205	-0.0028	0.0158	0.3114	0.0328	-0.1235	-1.1179	0.1637	-0.9471	-0.0634	1.1184	-0.2449	0.9167	-0.2061	0.3846	1.9307	-0.081	0.9156	11.926	-14.1812	28.1773
40	2.9815	-1.8956	0.3012	2.6379	1.5959	2.1622	0.2248	0.578	0.165	-0.195	-0.1692	0.1048	0.1884	0.0414	-0.4358	0.6014	-0.252	-0.0962	0.9675	0.1338	0.3813	-3.8988	-14.6837	40.9418
41	3.2461	-2.9873	-0.3134	4.7856	3.1527	4.1305	-0.0399	0.3331	-0.792	-0.1216	-0.4301	0.2355	1.4021	0.5939	-0.0296	0.9032	-0.1969	-0.3303	0.8414	0.1004	0.6469	-2.9147	-26.0186	42.8472
42	0.9846	-0.2382	-1.3014	0.1624	-0.0432	2.7239	0.5169	-0.0617	-0.321	-0.4078	-0.0756	-0.2185	0.6594	0.5498	-0.2832	0.9984	0.0206	-0.1269	1.1111	0.0619	0.4291	4.7535	-20.3111	39.0656
43	1.7558	-0.2996	0.4748	3.5551	-0.3223	4.2537	-0.0046	0.6793	0.9607	-0.8039	0.3249	0.6685	0.6032	0.1749	-0.108	0.7483	-0.4815	-0.1628	1.0758	0.3657	0.336	-3.7714	-14.9709	40.168
44	4.9663	0.6729	0.5171	3.5874	1.8638	3.2813	0.392	0.8363	-0.0286	-0.504	0.3106	-0.1372	0.511	-0.0361	-0.5772	0.8289	-0.2586	-0.1623	1.035	0.3434	0.4489	0.3728	-13.1124	37.8668
45	2.224	1.135	0.0384	4.8744	-0.6068	1.7555	0.3133	-0.185	0.2196	0.7501	-0.0833	0.1436	0.2648	0.1566	-0.2116	0.9582	-0.2532	-0.19	0.7045	0.1111	0.5897	2.2214	-4.5264	63.4287
46	0.2441	-0.3304	-0.2835	1.7031	1.8768	2.1226	0.0318	0.4081	0.3532	0.3382	-0.2877	0.399	-0.2117	-0.6661	0.1044	0.6914	-0.2088	-0.1539	1.0158	0.1439	0.9783	-8.2866	2.5884	50.4379
47	3.2161	-0.1094	-0.0905	3.1308	-0.2088	3.6369	0.1996	0.4702	-0.2166	0.4332	0.0172	-0.7244	0.0699	0.869	-0.0052	0.516	-0.1722	-0.226	0.7096	0.0862	0.6131	9.7988	-9.4644	54.2155
48	2.0458	0.2852	0.5812	4.1503	0.3253	3.4304	-0.0423	0.6706	0.0765	0.6299	0.0232	0.2371	0.2118	0.1207	-0.0435	0.6277	-0.1386	-0.1017	0.606	0.0682	0.5127	1.8461	-7.3893	55.2967
49	2.3267	-0.8086	-0.075	2.5738	-0.575	0.47	0.3186	1.238	-0.6631	-0.172	0.1863	-1.2378	0.9637	1.0172	-0.0704	0.7111	0.0294	0.0005	1.1894	-0.1961	0.8505	15.8437	-21.7939	42.7434
50	2.3665	1.8744	0.619	2.26	2.2179	3.9168	0.1036	0.6395	0.6623	0.1808	0.3452	-0.3156	-0.1348	0.6152	-0.4747	0.5571	-0.2106	-0.119	0.6118	0.1243	0.7162	9.6968	-1.5509	51.929
51	5.7556	2.5519	-0.4505	5.7046	-3.0921	5.9053	-0.0905	0.5396	0.4443	-0.4681	-0.1075	0.6682	-0.107	-0.8818	-0.1952	-0.261	-0.4346	-0.28	1.3472	0.5961	0.7965	-8.1157	-5.3256	44.7823
52	3.006	-0.786	0.9655	3.7065	-0.373	2.5319	0.028	0.8477	-0.19	-0.3345	-0.0047	-1.1537	0.0858	0.314	0.1112	0.4647	-0.0325	0.0014	0.6982	0.0582	0.7123	23.8837	18.0795	57.979
53	4.518	-0.6472	1.249	4.4537	-0.7388	5.4101	0.229	0.4503	-0.0353	0.1837	-0.0464	-0.0135	0.0546	-0.5261	-0.1478	0.3441	-0.1127	-0.0536	0.5903	0.1308	0.5126	15.5226	22.9059	56.7939
54	1.4697	0.8398	-0.1306	0.5081	-0.4743	2.395	-0.6979	-0.0377	0.5855	0.5206	0.0006	-0.1313	-0.9017	-0.326	0.463	1.5258	0.1632	-0.2589	1.0508	0.0992	1.3431	14.4001	46.7011	64.9013
55	2.5427	0.6685	-0.4453	5.0579	-0.0981	3.1742	-0.5331	0.2878	0.4535	0.5441	0.0191	-0.5679	-0.5835	0.1971	0.3193	0.6242	-0.0067	-0.1919	0.7493	0.3537	0.7748	15.8783	41.1455	53.652
56	2.9248	0.1418	0.4799	4.5599	-0.239	3.0978	-0.2799	0.4844	0.5435	-0.1052	-0.1281	-0.3848	-0.4591	-0.7154	0.3963	0.3871	-0.0326	-0.0983	1.0876	0.3625	0.6868	14.1125	39.9286	48.8659

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN A AND (RESSEQ 1014:1023)
2	X-RAY DIFFRACTION	2	CHAIN A AND (RESSEQ 1024:1046)
3	X-RAY DIFFRACTION	3	CHAIN A AND (RESSEQ 1047:1055)
4	X-RAY DIFFRACTION	4	CHAIN A AND (RESSEQ 1056:1094)
5	X-RAY DIFFRACTION	5	CHAIN A AND (RESSEQ 1095:1125)
6	X-RAY DIFFRACTION	6	CHAIN A AND (RESSEQ 1126:1138)
7	X-RAY DIFFRACTION	7	CHAIN A AND (RESSEQ 1139:1147)
8	X-RAY DIFFRACTION	8	CHAIN B AND (RESSEQ 1014:1023)
9	X-RAY DIFFRACTION	9	CHAIN B AND (RESSEQ 1024:1046)
10	X-RAY DIFFRACTION	10	CHAIN B AND (RESSEQ 1047:1055)
11	X-RAY DIFFRACTION	11	CHAIN B AND (RESSEQ 1056:1085)
12	X-RAY DIFFRACTION	12	CHAIN B AND (RESSEQ 1086:1108)
13	X-RAY DIFFRACTION	13	CHAIN B AND (RESSEQ 1109:1132)
14	X-RAY DIFFRACTION	14	CHAIN B AND (RESSEQ 1133:1149)
15	X-RAY DIFFRACTION	15	CHAIN C AND (RESSEQ 1014:1028)
16	X-RAY DIFFRACTION	16	CHAIN C AND (RESSEQ 1029:1055)
17	X-RAY DIFFRACTION	17	CHAIN C AND (RESSEQ 1056:1074)
18	X-RAY DIFFRACTION	18	CHAIN C AND (RESSEQ 1075:1099)
19	X-RAY DIFFRACTION	19	CHAIN C AND (RESSEQ 1100:1148)
20	X-RAY DIFFRACTION	20	CHAIN D AND (RESSEQ 1014:1028)
21	X-RAY DIFFRACTION	21	CHAIN D AND (RESSEQ 1029:1046)
22	X-RAY DIFFRACTION	22	CHAIN D AND (RESSEQ 1047:1055)
23	X-RAY DIFFRACTION	23	CHAIN D AND (RESSEQ 1056:1084)
24	X-RAY DIFFRACTION	24	CHAIN D AND (RESSEQ 1085:1099)
25	X-RAY DIFFRACTION	25	CHAIN D AND (RESSEQ 1100:1148)
26	X-RAY DIFFRACTION	26	CHAIN E AND (RESSEQ 1014:1023)
27	X-RAY DIFFRACTION	27	CHAIN E AND (RESSEQ 1024:1046)
28	X-RAY DIFFRACTION	28	CHAIN E AND (RESSEQ 1047:1064)
29	X-RAY DIFFRACTION	29	CHAIN E AND (RESSEQ 1065:1084)
30	X-RAY DIFFRACTION	30	CHAIN E AND (RESSEQ 1085:1108)
31	X-RAY DIFFRACTION	31	CHAIN E AND (RESSEQ 1109:1132)
32	X-RAY DIFFRACTION	32	CHAIN E AND (RESSEQ 1133:1149)
33	X-RAY DIFFRACTION	33	CHAIN F AND (RESSEQ 1014:1031)
34	X-RAY DIFFRACTION	34	CHAIN F AND (RESSEQ 1032:1064)
35	X-RAY DIFFRACTION	35	CHAIN F AND (RESSEQ 1065:1087)
36	X-RAY DIFFRACTION	36	CHAIN F AND (RESSEQ 1088:1147)
37	X-RAY DIFFRACTION	37	CHAIN G AND (RESSEQ 1014:1028)
38	X-RAY DIFFRACTION	38	CHAIN G AND (RESSEQ 1029:1042)
39	X-RAY DIFFRACTION	39	CHAIN G AND (RESSEQ 1043:1055)
40	X-RAY DIFFRACTION	40	CHAIN G AND (RESSEQ 1056:1064)
41	X-RAY DIFFRACTION	41	CHAIN G AND (RESSEQ 1065:1074)
42	X-RAY DIFFRACTION	42	CHAIN G AND (RESSEQ 1075:1087)
43	X-RAY DIFFRACTION	43	CHAIN G AND (RESSEQ 1088:1125)
44	X-RAY DIFFRACTION	44	CHAIN G AND (RESSEQ 1126:1146)
45	X-RAY DIFFRACTION	45	CHAIN H AND (RESSEQ 1014:1046)
46	X-RAY DIFFRACTION	46	CHAIN H AND (RESSEQ 1047:1055)
47	X-RAY DIFFRACTION	47	CHAIN H AND (RESSEQ 1056:1074)
48	X-RAY DIFFRACTION	48	CHAIN H AND (RESSEQ 1075:1087)
49	X-RAY DIFFRACTION	49	CHAIN H AND (RESSEQ 1088:1099)
50	X-RAY DIFFRACTION	50	CHAIN H AND (RESSEQ 1100:1138)
51	X-RAY DIFFRACTION	51	CHAIN H AND (RESSEQ 1139:1147)
52	X-RAY DIFFRACTION	52	CHAIN I AND (RESSEQ 1014:1074)
53	X-RAY DIFFRACTION	53	CHAIN I AND (RESSEQ 1075:1147)
54	X-RAY DIFFRACTION	54	CHAIN J AND (RESSEQ 1014:1031)
55	X-RAY DIFFRACTION	55	CHAIN J AND (RESSEQ 1032:1099)
56	X-RAY DIFFRACTION	56	CHAIN J AND (RESSEQ 1100:1147)

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