PDB-2ypz: KSHV LANA (ORF73) C-terminal domain, decameric ring: orthorhombic...

Basic information

• Entry: Database: PDB / ID: 2ypz
• Title: KSHV LANA (ORF73) C-terminal domain, decameric ring: orthorhombic crystal form
• Components: KSHV LANA
• Keywords: VIRAL PROTEIN / 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:

host cell nucleus / DNA binding

Domain/homology:

: / Protein LANA1-like, DNA-binding domain / Epstein Barr virus nuclear antigen-1, DNA-binding domain / Epstein Barr virus nuclear antigen-1, DNA-binding domain superfamily / Alpha-Beta Plaits / 2-Layer Sandwich / Alpha Beta

Component:

ORF 73

• Biological species: HUMAN HERPESVIRUS 8 TYPE M
• Method: X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 3.199 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	May 8, 2019	Group: Data collection / Experimental preparation / Other Category: database_PDB_rev / database_PDB_rev_record / exptl_crystal_grow / pdbx_database_proc / pdbx_database_status Item: _exptl_crystal_grow.method / _pdbx_database_status.recvd_author_approval
Revision 1.3	May 22, 2019	Group: Data collection / Experimental preparation / Category: exptl_crystal_grow / Item: _exptl_crystal_grow.temp
Revision 1.4	Dec 20, 2023	Group: Data collection / Database references / Other / Refinement description Category: chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf

• Remark 650: HELIX DETERMINATION METHOD: AUTHOR PROVIDED.
• Remark 700: SHEET DETERMINATION METHOD: AUTHOR PROVIDED.

Assembly

Deposited unit

A: KSHV LANA

B: KSHV LANA

C: KSHV LANA

D: KSHV LANA

E: KSHV LANA

F: KSHV LANA

G: KSHV LANA

H: KSHV LANA

I: KSHV LANA

J: KSHV LANA

Summary:

• 158 kDa, 10 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	157,602	10
Polymers	157,602	10
Non-polymers	0	0
Water	0

1

I: KSHV LANA

J: KSHV LANA

Summary:

• defined by author&software
• 31.5 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	31,520	2
Polymers	31,520	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	4130 Å2
ΔGint	-30.4 kcal/mol
Surface area	13050 Å2
Method	PISA

2

C: KSHV LANA

D: KSHV LANA

Summary:

• defined by author&software
• 31.5 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	31,520	2
Polymers	31,520	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	4380 Å2
ΔGint	-28.6 kcal/mol
Surface area	13040 Å2
Method	PISA

3

A: KSHV LANA

B: KSHV LANA

Summary:

• defined by author&software
• 31.5 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	31,520	2
Polymers	31,520	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	4200 Å2
ΔGint	-28.6 kcal/mol
Surface area	13070 Å2
Method	PISA

4

G: KSHV LANA

H: KSHV LANA

Summary:

• defined by author&software
• 31.5 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	31,520	2
Polymers	31,520	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3870 Å2
ΔGint	-27.3 kcal/mol
Surface area	13070 Å2
Method	PISA

5

E: KSHV LANA

F: KSHV LANA

Summary:

• defined by author&software
• 31.5 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	31,520	2
Polymers	31,520	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	4110 Å2
ΔGint	-28.4 kcal/mol
Surface area	13200 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	76.790, 100.290, 214.560
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P212121

Noncrystallographic symmetry (NCS)

NCS oper:

ID	Code	Matrix	Vector
1	given	(-0.99757, 0.03583, 0.05983), (0.04177, -0.3801, 0.924), (0.05585, 0.92425, 0.37768)	60.53185, -189.58101, 124.63594
2	given	(0.96999, -0.23561, -0.0601), (-0.20506, 0.65977, 0.72295), (-0.13068, 0.71357, -0.68828)	80.22688, -144.99168, 359.20197
3	given	(0.95005, -0.03288, -0.31035), (0.29737, 0.39712, 0.86825), (0.0947, -0.91718, 0.38706)	60.54406, -193.27036, 131.91946
4	given	(0.93546, 0.32243, 0.14473), (0.35107, -0.80055, -0.48566), (-0.04072, 0.50513, -0.86208)	-35.31052, 93.23947, 389.81113
5	given	(-0.91296, 0.07138, 0.40176), (-0.40757, -0.11146, -0.90635), (-0.01991, -0.9912, 0.13085)	-20.10275, 206.74512, 186.76468
6	given	(0.81914, 0.34501, -0.45823), (0.55757, -0.66645, 0.49493), (-0.13463, -0.66091, -0.73829)	87.86293, -123.24555, 374.43887
7	given	(-0.8239, -0.53492, 0.18723), (-0.56114, 0.72364, -0.40182), (0.07946, -0.43612, -0.89637)	15.62117, 99.15219, 399.28619
8	given	(0.99248, -0.09851, 0.07261), (0.0949, 0.24491, -0.96489), (0.07727, 0.96453, 0.25241)	-25.54868, 198.31477, 152.46596
9	given	(-0.9893, 0.14457, 0.01988), (-0.14593, -0.98054, -0.1313), (0.00051, -0.13279, 0.99114)	57.8303, 37.46007, 4.85199

Components

#1: Protein

A B C D E F G H I J
KSHV LANA

Details:

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

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 2.63 ų/Da / Density % sol: 53.17 % / Description: NONE
• Crystal grow: Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.6 ; Details: 1.5 UL OF 0.8 MM PROTEIN IN 5 MM BISTRIS, PH 6.5, 200 MM LICL, 4 MM DTT WERE ADDED TO 1.5 UL OF 0.2 M LITHIUM CITRATE, PH 7.6, 20 % (W/V) PEG 3350. THE MIXTURE WAS INCUBATED AT 20 DEGREE CENTIGRADE IN A HANGING DROP SETUP. CRYSTALS GREW IN A FEW DAYS AND WERE CRYO-PROTECTED BY SHORT SOAKING IN 0.2 M LITHIUM CITRATE, PH 7.6, 20 % (W/V) PEG 3350, 30 % (V/V) GLYCEROL.

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.54181
• Detector: Type: RIGAKU-MSC SATURN 944 PLUS / Detector: CCD / Date: Oct 3, 2012 / Details: MIRRORS
• Radiation: Monochromator: RIGAKU VARIMAX / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 1.54181 Å / Relative weight: 1
• Reflection: Resolution: 3.2→90 Å / Num. obs: 27442 / % possible obs: 97.5 % / Observed criterion σ(I): 2 / Redundancy: 3.45 % / B_iso Wilson estimate: 47.43 Ų / R_merge(I) obs: 0.19 / Net I/σ(I): 7.67
• Reflection shell: Resolution: 3.2→3.39 Å / Redundancy: 3.37 % / R_merge(I) obs: 0.61 / Mean I/σ(I) obs: 2.03 / % possible all: 95.1

Processing

Software

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

Refinement

Method to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2YPY

2ypy

Resolution: 3.199→45.427 Å / SU ML: 0.4 / σ(F): 1.99 / Phase error: 24.37 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection
Rfree	0.2651	1371	5 %
Rwork	0.2177	-	-
obs	0.2201	27435	97.56 %

• Solvent computation: Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
• Displacement parameters: B_iso mean: 50.7 Ų

Refinement step

Cycle: LAST / Resolution: 3.199→45.427 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10837	0	0	0	10837

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	11223
X-RAY DIFFRACTION	f_angle_d	0.734	15234
X-RAY DIFFRACTION	f_dihedral_angle_d	11.292	4282
X-RAY DIFFRACTION	f_chiral_restr	0.054	1508
X-RAY DIFFRACTION	f_plane_restr	0.004	1995

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
3.1992-3.3135	0.3318	128	0.2917	2419	X-RAY DIFFRACTION	93
3.3135-3.4461	0.2913	137	0.2544	2600	X-RAY DIFFRACTION	99
3.4461-3.6029	0.2604	138	0.2587	2627	X-RAY DIFFRACTION	100
3.6029-3.7928	0.2938	137	0.247	2600	X-RAY DIFFRACTION	99
3.7928-4.0303	0.2913	138	0.2379	2641	X-RAY DIFFRACTION	99
4.0303-4.3412	0.2663	137	0.207	2601	X-RAY DIFFRACTION	98
4.3412-4.7777	0.2695	138	0.1872	2632	X-RAY DIFFRACTION	98
4.7777-5.468	0.2398	139	0.1912	2631	X-RAY DIFFRACTION	99
5.468-6.8853	0.245	140	0.2001	2657	X-RAY DIFFRACTION	98
6.8853-45.432	0.218	139	0.1764	2656	X-RAY DIFFRACTION	93

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	1.257	-0.4277	1.4247	1.9121	-0.7162	2.1033	-0.0722	-0.1269	-0.0874	0.5398	0.2565	0.6002	0.4635	-0.2265	-0.159	0.1158	-0.0051	-0.0632	0.3217	-0.0894	0.5171	30.34	-30.4542	183.0035
2	1.3981	-0.4876	0.4469	3.0871	-0.1358	2.6479	-0.1816	0.0593	0.3769	-0.2819	0.1168	-0.1005	0.0129	-0.1167	0.0685	0.2007	0.0016	-0.0552	0.3035	-0.0023	0.3089	36.6828	-23.4474	182.8836
3	1.6006	-0.5445	1.3595	2.289	-0.0053	1.227	-0.3884	0.2495	0.1163	-0.6123	-0.2271	-0.6539	0.5106	0.6379	0.5689	0.5446	-0.0686	0.1996	0.7268	-0.0072	0.491	44.4616	-16.4008	163.6105
4	0.635	-1.4539	0.3684	3.7301	-0.5378	1.8317	0.1474	0.3532	0.2433	0.0472	-0.1477	-0.9163	-0.8606	1.3742	0.1235	0.449	-0.0942	0.0561	0.7096	-0.0156	0.4191	41.8392	-7.6234	155.9914
5	2.2227	0.4891	-0.7902	1.4432	1.8386	6.071	0.2463	-0.255	0.424	-0.8011	0.2107	-0.2966	-0.3997	0.311	0.1385	0.394	0.1947	-0.1203	0.347	0.0323	0.4335	40.1346	0.5657	165.4068
6	0.6432	-0.8913	-0.4346	4.3582	-0.2331	0.497	0.3703	0.2426	0.5998	-0.2715	-0.617	-0.6464	-0.2727	0.9465	0.3655	0.5102	0.0699	-0.1773	0.9199	0.0508	0.3818	49.595	-5.3309	179.1412
7	1.0134	-0.2033	-1.0103	1.5816	-0.0246	1.8618	0.0314	-0.0712	-0.2336	-0.5194	-0.3436	-0.0744	-0.2818	-0.0039	0.1568	0.3527	0.006	-0.1256	0.2004	0.024	0.3352	34.5007	-11.2805	169.1172
8	0.3966	-0.0023	0.2633	0.6269	0.3216	0.3894	-0.0778	-0.2983	0.0249	0.46	-0.2045	0.5564	0.855	-0.5624	0.1133	0.4266	-0.0636	0.0242	0.4553	-0.0329	0.3004	21.1375	-24.4946	175.1451
9	0.1405	-0.3006	-0.1326	1.1099	0.1485	0.1904	0.1507	0.0976	0.1469	-0.3514	0.2079	-0.2298	-0.341	-0.0095	0.0901	0.5605	0.1161	-0.2427	0.1433	-0.2621	0.4201	34.6091	-4.3906	173.7479
10	2.2972	-1.56	0.6576	2.1028	-1.7851	1.909	-0.2734	-0.3268	-0.299	0.1455	0.2361	0.5299	-0.5149	0.0461	-0.0795	0.4339	-0.0893	-0.1818	0.1766	-0.0917	0.4809	35.6823	-9.2373	176.2976
11	0.1499	0.0647	0.5252	0.0546	0.0614	4.1193	0.1851	0.1908	0.0384	0.6916	0.1795	0.0323	-0.0095	1.2174	-0.1795	0.7282	0.2382	0.1309	0.8329	-0.1643	0.3577	52.9543	-45.2453	211.3298
12	0.192	0.2175	0.0732	3.1235	0.2105	5.3275	0.0005	0.204	-0.0005	-0.0058	0.3202	-0.5336	0.9938	0.2926	0.2217	0.1781	0.0795	0.1235	0.4937	0.0745	0.3211	47.4038	-38.9282	199.651
13	2.3661	0.9124	-0.9875	0.4736	-0.6026	2.0339	-0.2734	0.0055	0.0197	-0.2977	0.4578	-0.2922	0.0351	0.5323	-0.1774	0.4539	-0.1689	0.0596	0.4079	-0.1047	0.7904	52.9916	-25.1358	211.394
14	0.5244	-0.7863	0.8103	2.1293	-0.4472	1.9793	0.3862	-0.1416	-0.2351	-0.2378	-0.0465	0.0757	0.4922	-0.3258	0.1262	0.2455	-0.0493	0.038	0.2366	-0.0567	0.4047	38.4491	-41.637	210.4322
15	0.0669	-0.0673	-0.2381	0.1044	0.1563	0.9176	-0.0173	0.0245	-0.074	0.2401	0.3048	0.0056	0.1191	0.4029	0.2652	0.5506	0.1013	-0.1524	0.4307	-0.0465	0.0087	45.7986	-38.4583	211.7775
16	1.6485	0.026	-0.7077	2.0025	-0.0113	2.0049	-0.4126	0.1619	0.1599	0.4947	-0.1124	0.1631	0.2432	0.0984	0.1628	0.3057	-0.0274	0.0067	0.269	-0.1064	0.2425	33.7691	-39.5955	218.679
17	2.1485	-1.4726	-1.3714	1.2404	1.0912	2.626	0.0169	-0.0193	0.0797	-0.4457	-0.3064	0.801	-0.2287	-0.4179	0.1487	0.3341	-0.0173	-0.0164	0.1586	0.01	0.2666	36.8863	-35.9682	201.8003
18	3.967	-1.6554	0.2686	2.5143	1.4144	2.6122	0.3039	-0.6638	0.6978	0.1616	0.4438	-0.9138	0.0396	0.2697	0.1637	0.3182	0.0197	-0.0317	0.5424	0.1082	0.2896	44.6944	-28.3649	217.2338
19	2.4903	0.1097	1.4347	1.5157	-0.1604	2.8285	0.0486	-0.6451	0.1746	0.7172	-0.0221	0.0808	0.2832	-0.4329	0.0537	0.9718	0.0024	-0.1796	0.3721	0.0947	-0.0202	31.3004	-46.8251	229.107
20	0.8157	-0.09	-0.4569	1.4459	0.7445	3.1897	0.2614	-0.3175	-0.2342	0.3323	-0.1202	-0.1252	0.6709	-0.0613	-0.138	0.9971	-0.0155	-0.0747	0.5219	-0.0231	0.0063	34.0754	-45.2484	241.2822
21	2.9389	-0.0162	0.5391	3.3881	0.0967	4.128	0.4213	-0.0333	0.0634	0.2204	-0.0559	0.4135	0.0735	-0.2109	-0.0892	0.5549	0.0278	-0.0281	0.2695	-0.0828	0.3119	31.5	-33.4157	240.7505
22	0.925	-0.1453	-0.2913	0.1028	-0.145	0.8994	0.119	-0.0781	0.0334	-0.1213	0.0649	0.1273	0.0722	-0.3517	-0.0293	0.1725	0.0317	-0.1564	0.5045	-0.1614	0.6504	22.3231	-29.7283	226.0448
23	2.7272	1.202	-0.1408	2.0171	0.2769	2.9388	-0.0381	-0.1113	0.2846	0.1592	-0.2709	0.111	-0.2325	0.6936	0.2654	0.4085	-0.0214	-0.0806	0.3765	0.0465	0.228	43.3693	-32.2974	227.386
24	0.5449	-0.2742	-0.1987	0.835	0.9086	1.5497	0.0829	-0.0734	-0.1506	0.1899	-0.3355	0.2105	0.3574	-0.2606	0.0241	0.8199	0.1204	-0.0197	0.0824	-0.2335	-0.0056	42.2041	-41.1475	234.2331
25	0.8712	-0.0626	-0.2801	0.7781	0.0775	0.759	0.1936	-0.0503	-0.0818	0.1571	0.023	-0.1593	-0.316	-0.3158	0.3016	0.4256	0.2496	0.1519	-0.5367	-0.4795	-0.063	34.5965	-37.9885	229.2837
26	1.2387	0.4922	0.406	1.9336	-0.4706	2.1736	0.1391	0.2742	0.1327	-0.4548	-0.037	-0.1377	0.5548	0.7508	-0.1242	0.3742	0.098	-0.0372	0.4474	-0.0092	0.2327	46.3537	-36.4106	221.995
27	0.9583	0.4665	0.1423	0.5504	0.8997	2.1282	-0.2998	0.0987	0.1201	0.0848	-0.1235	0.2765	-0.1028	0.0818	0.1322	0.3924	0.026	0.0042	0.2848	-0.0266	0.2898	37.9599	-26.7406	235.5302
28	0.4151	-0.6875	-0.7776	2.4164	0.3899	2.1159	-0.3747	-0.0192	0.0435	0.4121	0.3425	-0.2492	0.2064	0.3079	-0.0044	0.2757	-0.182	0.2006	0.6782	-0.1387	0.287	44.5119	-29.7357	233.1561
29	3.4196	-0.487	1.1312	3.3579	0.367	3.9452	0.005	0.1898	-0.0604	0.0615	0.263	0.6581	0.4028	-1.0769	-0.2234	0.2121	-0.0581	-0.0378	0.5449	0.1631	0.3147	26.39	-33.0397	218.1032
30	0.2915	-0.1977	-0.6269	0.9043	-0.4691	2.3334	0.1564	0.2439	-0.4546	-0.1883	0.1544	0.7048	0.0531	-0.9999	0.0735	0.3685	-0.0699	-0.1786	0.6141	0.1819	0.5665	6.4689	42.5916	213.6297
31	0.1386	0.094	0.0186	0.5572	-1.0017	2.2344	-0.2842	0.3382	-0.0875	-0.5467	0.3552	0.9739	0.3417	-0.5259	0.0078	0.6363	-0.1417	-0.228	0.7776	-0.0248	1.3305	5.622	25.0254	214.5639
32	2.8646	-1.0354	-0.6621	3.2557	0.3918	3.1075	0.191	-0.0008	0.1637	0.1842	-0.1179	0.201	0.3478	-0.295	-0.0575	0.3236	-0.0211	0.083	0.2114	0.0035	0.2962	17.8646	39.4244	221.6804
33	1.2002	-0.8331	0.5127	2.6295	-1.2232	3.0196	0.01	0.3744	-0.2523	-0.208	-0.0083	0.3829	0.2358	-0.2408	-0.0989	0.346	-0.0217	-0.0166	0.3994	-0.0025	0.4434	17.3348	34.283	214.2911
34	3.6085	-4.6208	1.5025	6.4455	-1.8225	1.7701	0.0811	0.5191	-0.1926	-0.1322	-0.4572	-0.3954	0.563	1.0915	0.2548	0.5091	-0.1601	0.0536	0.6289	-0.0655	0.4742	21.0312	45.0941	234.8923
35	4.2431	-2.5491	2.2043	4.4029	-2.2535	2.9956	-0.369	0.0807	-0.131	0.2498	-0.3018	-0.4136	-0.1244	0.1168	0.3663	0.7557	-0.061	0.3744	0.6314	-0.155	0.5429	27.7972	38.4178	249.1
36	2.7914	-0.3168	0.235	2.6548	-0.7677	2.6503	0.0097	0.0322	-0.3506	0.1229	-0.3287	-0.4469	-0.3389	0.6135	0.047	0.5176	-0.0647	0.1256	0.527	0.0814	0.3564	24.8892	27.2844	246.5423
37	1.7674	-0.4477	-0.0439	0.9023	-0.1365	0.2258	0.2125	0.1781	-0.1385	0.1971	0.198	-0.0525	0.1726	0.592	-0.0811	0.403	0.2423	0.143	1.004	0.1405	1.1251	35.2389	28.256	231.3348
38	3.0822	1.033	-0.3302	1.63	0.8971	1.7076	-0.3529	0.3557	-0.2647	0.0234	-0.0487	-0.1	0.1058	-0.1821	0.2099	0.302	-0.0435	0.0766	0.3569	-0.039	0.4718	17.4834	32.005	236.928
39	0.6179	0.3431	-1.2178	3.7009	0.7944	3.3444	0.0321	1.0987	0.054	-0.5386	-0.1248	0.1299	0.1952	-0.8145	0.2602	0.5296	-0.1861	0.0311	0.5656	0.0324	0.447	10.8143	32.8705	228.5002
40	0.2462	0.3297	0.2338	1.846	-0.1352	2.5407	0.0123	-0.17	-0.8852	-0.0044	-0.0363	0.1609	0.2375	-0.3128	0.0621	0.6639	-0.0106	0.1502	0.3888	0.1103	0.535	17.3921	21.6101	240.8788
41	1.8066	0.3832	-1.6439	2.6843	-1.1469	2.6238	-0.1177	0.1773	-0.8373	-0.2333	-0.1691	-0.2344	0.1419	-0.3303	0.0475	0.4654	-0.0943	0.0759	0.4076	0.1011	0.5686	26.0062	29.57	225.976
42	0.0303	-0.1746	-0.1409	1.114	0.3887	0.8445	-0.136	0.3446	-0.8734	-0.1468	-0.331	0.0372	0.0253	-0.2828	0.2318	0.4546	-0.0015	0.2079	0.2557	0.0312	0.5162	16.6987	-0.1118	263.5149
43	2.8602	-0.6169	-1.045	1.6339	0.7367	2.8572	-0.3336	0.0875	0.3176	-0.1585	-0.5215	0.0183	-0.4552	-0.6181	0.0331	0.3789	0.0906	0.0528	0.275	0.0274	0.5097	14.5408	11.5643	255.1151
44	1.0749	0.5084	0.9925	0.4193	0.3743	0.9717	0.0482	-0.3509	0.0392	-0.0244	-0.3912	0.3167	-0.2244	-0.4419	-0.144	0.0096	0.1285	-0.2225	0.968	0.0882	0.4684	11.4072	-3.316	244.4886
45	1.8329	-0.5194	-1.0933	1.031	0.0923	1.4631	-0.0745	-0.0317	0.2665	0.3207	0.2281	0.2357	-0.2473	-0.0446	-0.1108	0.2719	0.0198	0.0669	0.2067	-0.0075	0.3687	25.2028	4.133	254.9341
46	4.5608	-0.0147	1.5632	2.733	0.4306	0.6047	0.0613	0.179	0.2036	-0.0663	0.1076	-0.9947	0.229	1.2572	0.1501	0.0989	0.1736	0.0395	0.6608	-0	0.7976	42.6334	-1.6947	252.2585
47	0.4	0.9069	-0.3709	2.0893	-0.9953	0.9456	-0.3446	-0.0175	-0.4124	-0.2811	0.0899	-0.7157	0.7403	0.8898	-0.0436	0.5673	0.4379	0.2458	0.9285	-0.3591	0.7939	45.7292	1.5858	255.9416
48	0.1684	-0.3094	-0.2489	1.8854	0.1425	0.34	0.1631	0.0828	0.0054	-0.5054	0.0306	-0.2543	-0.1774	-0.1819	-0.0566	0.47	0.0212	0.125	0.3749	0.0143	0.2775	22.4965	7.3202	247.778
49	0.0396	0.0223	0.0135	0.0097	0.0122	-0.0006	0.445	-0.2667	0.6568	0.3089	0.3307	-0.3564	-0.41	0.0685	-0.5415	0.4949	-0.0083	0.134	0.3939	0.005	0.6772	29.1394	17.3736	254.7605
50	3.897	2.8222	-0.1871	5.3238	0.3863	2.1419	0.2412	0.0722	-0.0349	-0.1824	0.0679	0.1118	-0.1256	-0.083	0.0231	0.2372	0.1061	0.08	0.2428	0.1582	0.5214	21.6637	-5.4547	245.3909
51	0.8412	-0.6613	-0.689	2.8684	0.5598	2.1601	0.0732	0.3829	0.0593	0.0382	0.5334	-0.5346	0.152	0.3327	-0.0597	0.2377	0.0969	-0.3381	0.726	-0.2451	0.8425	45.4891	-9.7044	258.6342
52	1.9338	-0.0252	0.1973	1.2509	0.3901	4.4088	0.0179	0.0275	-0.4004	-0.0349	0.1743	-0.287	0.392	0.9199	-0.2249	0.3898	0.03	0.0148	0.4825	-0.095	0.3332	44.4523	-20.3109	248.7937
53	1.1673	1.5512	-0.5434	2.1221	-1.0558	1.7088	-0.0346	0.1313	0.0411	-0.2335	-0.3189	-0.7309	-0.2343	0.5469	0.0033	0.4291	-0.0457	0.1104	0.9884	0.1822	0.3845	44.7719	-4.3357	239.1938
54	5.5726	-0.3174	-0.7006	1.5583	1.1116	0.9193	-0.1062	-0.4611	0.3429	0.0974	0.378	-0.0217	0.5126	-0.0007	-0.18	0.2125	0.0293	0.0075	0.2364	-0.0168	0.1428	34.992	-13.3086	252.274
55	0.5872	-0.3241	0.249	1.3461	-0.0072	1.0437	0.0769	-0.4081	0.0313	0.3287	0.4227	0.3276	-0.1597	-0.3833	0.8129	0.3323	0.0466	0.3987	0.8113	-0.2469	0.0544	19.3014	-8.6285	258.219
56	6.7152	3.2432	-1.959	2.6382	-0.8699	0.6289	0.2315	-0.2642	0.4054	0.3203	-0.1934	0.4778	0.0626	-0.401	-0.3635	0.3581	0.1025	0.2777	0.5451	0.117	0.3437	17.0834	-14.2774	260.2976
57	1.1842	-0.7377	-0.3043	1.5463	1.2098	0.9712	0.146	0.1536	-0.2654	-0.1628	-0.3984	-0.2229	0.186	0.0334	0.1927	0.3011	0.0159	0.0651	0.3134	-0.0467	0.2328	33.9647	-17.5256	246.3209
58	1.5242	1.6253	-0.6622	5.7011	-0.9947	1.9702	0.0926	0.0643	-0.0625	-0.1162	-0.2615	-0.4434	0.1138	0.4143	0.0973	0.2248	-0.0757	0.0952	0.3878	-0.0943	0.3614	32.716	-3.5598	242.7511
59	1.172	-0.8023	-1.1631	1.8344	0.3563	2.0787	0.158	0.5018	-0.5993	-0.4566	-0.4045	0.7924	0.3516	-0.2413	0.3492	1.2428	-0.1532	-0.5332	0.5116	-0.2493	0.5564	15.7587	23.3063	166.4786
60	3.7108	-0.4564	1.009	4.3724	1.1005	2.9666	-0.3743	0.2899	-0.3525	-0.6453	-0.4259	0.9936	0.0797	-0.3829	0.3078	0.7013	0.1875	-0.1411	0.5459	-0.1703	0.4682	22.5598	10.6972	167.5531
61	0.8101	0.3214	0.9682	0.4063	-0.1411	2.1397	0.3365	0.2107	-0.5014	0.2039	0.2162	0.5597	0.221	-0.7791	-0.0041	0.3058	-0.216	0.2749	0.8111	-0.2579	1.3773	11.4501	11.7995	183.5627
62	1.0704	-0.582	0.815	0.7326	0.3079	1.9557	0.0806	-0.4585	0.1317	-0.8595	0.161	0.0482	-0.2594	-0.2485	-0.0971	0.8263	0.1462	-0.1505	0.3272	-0.2146	0.4012	25.7985	21.2548	174.0784
63	1.2663	0.536	-0.4344	2.313	-1.3528	0.8231	0.1455	0.027	0.4525	-0.0118	0.5039	-0.8062	-1.0721	1.036	-0.3901	1.1289	0.0127	-0.0429	0.7677	-0.2794	0.6315	37.3647	35.1049	181.872
64	1.8461	-1.2921	0.6707	3.9436	1.5553	2.7037	0.1217	0.2343	-0.1228	-0.2303	0.3531	0.025	-0.2671	0.1031	-0.238	0.4721	0.0352	-0.0456	0.3268	-0.0263	0.375	28.6244	14.1104	175.9958
65	6.6483	-1.704	-0.3744	3.6299	0.9647	4.1292	0.4594	-0.393	-0.2795	0.0675	0.0449	0.4609	-0.0353	-0.7239	-0.1716	0.4415	-0.0208	0.0251	0.3672	-0.005	0.4969	18.1433	19.5575	185.7241
66	1.8676	-0.8276	-2.0598	2.4756	2.0218	4.1337	-0.0307	0.0035	-0.5533	-0.9575	0.4411	-0.4199	0.0803	0.8206	-0.4577	0.6518	-0.0194	-0.0581	0.3519	-0.0918	0.8118	31.4828	43.6572	183.4169
67	1.4542	0.256	-0.4508	1.7782	-0.9445	1.1557	-0.1278	0.347	0.1254	-0.2527	-0.3455	-0.1706	-0.1942	0.0866	0.1174	0.591	0.0539	0.0124	0.3586	-0.1423	0.4602	24.5078	44.9803	195.4086
68	0.2823	0.1283	-0.2962	2.1642	0.3134	0.4319	0.41	0.5152	0.0415	0.1735	-0.0289	0.0144	0.5631	0.2083	-0.3691	0.2837	0.0832	-0.2239	0.7331	-0.2848	0.7869	36.3333	30.8338	197.6075
69	0.9173	-0.0727	-0.2827	1.586	0.3735	0.7497	0.4405	0.108	0.3437	-0.2188	0.1018	0.2609	-0.1897	-0.0096	0.4772	0.831	0.3337	-0.129	0.0754	-0.1781	0.4713	18.8888	35.6646	186.6403
70	0.1893	0.2779	-0.0465	0.5187	0.2298	0.8214	-0.1345	0.1343	0.0397	-0.0787	0.2617	-0.2375	-0.1911	0.3443	-0.1385	0.7111	0.0604	-0.1445	0.6468	-0.2708	0.1656	29.3307	36.5395	189.9383
71	0.2621	0.0207	-0.202	0.1626	-0.1157	0.2339	0.1865	0.5218	-0.4946	-0.4996	-0.0363	0.4194	0.3609	-0.3321	0.2047	1.0381	0.1872	-0.6882	0.6167	-0.4722	0.5742	11.6826	26.5012	175.5898
72	1.0305	-0.0292	0.2489	1.0923	0.2992	1.9645	-0.0439	-0.0015	0.2314	-0.0949	0.1469	0.0509	-0.0509	0.5341	-0.0464	0.3753	0.0752	-0.0123	0.3862	-0.0186	0.3241	21.5127	32.6759	194.2654
73	1.0104	-1.1083	-0.9163	1.2128	0.9982	0.8309	0.0243	-0.0749	0.0221	-0.0527	-0.0051	0.024	-0.1402	-0.0169	0.0918	0.4006	0.1447	-0.1491	0.5451	-0.0663	0.516	10.516	41.3663	193.0489
74	4.2221	-1.0223	-1.1931	3.4033	-0.0364	2.858	0.0061	-0.0766	0.3094	-0.3399	-0.0347	-0.6973	-0.2666	0.3172	-0.0716	0.5463	0.005	0.0264	0.3761	-0.0947	0.4538	30.4837	24.8132	189.5769

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN A AND (RESID 1014 THROUGH 1074 )
2	X-RAY DIFFRACTION	2	CHAIN A AND (RESID 1075 THROUGH 1148 )
3	X-RAY DIFFRACTION	3	CHAIN B AND (RESID 1014 THROUGH 1023 )
4	X-RAY DIFFRACTION	4	CHAIN B AND (RESID 1024 THROUGH 1031 )
5	X-RAY DIFFRACTION	5	CHAIN B AND (RESID 1032 THROUGH 1046 )
6	X-RAY DIFFRACTION	6	CHAIN B AND (RESID 1047 THROUGH 1055 )
7	X-RAY DIFFRACTION	7	CHAIN B AND (RESID 1056 THROUGH 1087 )
8	X-RAY DIFFRACTION	8	CHAIN B AND (RESID 1088 THROUGH 1099 )
9	X-RAY DIFFRACTION	9	CHAIN B AND (RESID 1100 THROUGH 1125 )
10	X-RAY DIFFRACTION	10	CHAIN B AND (RESID 1126 THROUGH 1147 )
11	X-RAY DIFFRACTION	11	CHAIN C AND (RESID 1014 THROUGH 1028 )
12	X-RAY DIFFRACTION	12	CHAIN C AND (RESID 1029 THROUGH 1046 )
13	X-RAY DIFFRACTION	13	CHAIN C AND (RESID 1047 THROUGH 1055 )
14	X-RAY DIFFRACTION	14	CHAIN C AND (RESID 1056 THROUGH 1074 )
15	X-RAY DIFFRACTION	15	CHAIN C AND (RESID 1075 THROUGH 1087 )
16	X-RAY DIFFRACTION	16	CHAIN C AND (RESID 1088 THROUGH 1108 )
17	X-RAY DIFFRACTION	17	CHAIN C AND (RESID 1109 THROUGH 1132 )
18	X-RAY DIFFRACTION	18	CHAIN C AND (RESID 1133 THROUGH 1148 )
19	X-RAY DIFFRACTION	19	CHAIN D AND (RESID 1014 THROUGH 1023 )
20	X-RAY DIFFRACTION	20	CHAIN D AND (RESID 1024 THROUGH 1031 )
21	X-RAY DIFFRACTION	21	CHAIN D AND (RESID 1032 THROUGH 1046 )
22	X-RAY DIFFRACTION	22	CHAIN D AND (RESID 1047 THROUGH 1055 )
23	X-RAY DIFFRACTION	23	CHAIN D AND (RESID 1056 THROUGH 1064 )
24	X-RAY DIFFRACTION	24	CHAIN D AND (RESID 1065 THROUGH 1074 )
25	X-RAY DIFFRACTION	25	CHAIN D AND (RESID 1075 THROUGH 1087 )
26	X-RAY DIFFRACTION	26	CHAIN D AND (RESID 1088 THROUGH 1108 )
27	X-RAY DIFFRACTION	27	CHAIN D AND (RESID 1109 THROUGH 1125 )
28	X-RAY DIFFRACTION	28	CHAIN D AND (RESID 1126 THROUGH 1138 )
29	X-RAY DIFFRACTION	29	CHAIN D AND (RESID 1139 THROUGH 1148 )
30	X-RAY DIFFRACTION	30	CHAIN E AND (RESID 1014 THROUGH 1045 )
31	X-RAY DIFFRACTION	31	CHAIN E AND (RESID 1046 THROUGH 1055 )
32	X-RAY DIFFRACTION	32	CHAIN E AND (RESID 1056 THROUGH 1108 )
33	X-RAY DIFFRACTION	33	CHAIN E AND (RESID 1109 THROUGH 1148 )
34	X-RAY DIFFRACTION	34	CHAIN F AND (RESID 1012 THROUGH 1021 )
35	X-RAY DIFFRACTION	35	CHAIN F AND (RESID 1022 THROUGH 1028 )
36	X-RAY DIFFRACTION	36	CHAIN F AND (RESID 1029 THROUGH 1046 )
37	X-RAY DIFFRACTION	37	CHAIN F AND (RESID 1047 THROUGH 1055 )
38	X-RAY DIFFRACTION	38	CHAIN F AND (RESID 1056 THROUGH 1087 )
39	X-RAY DIFFRACTION	39	CHAIN F AND (RESID 1088 THROUGH 1108 )
40	X-RAY DIFFRACTION	40	CHAIN F AND (RESID 1109 THROUGH 1132 )
41	X-RAY DIFFRACTION	41	CHAIN F AND (RESID 1133 THROUGH 1148 )
42	X-RAY DIFFRACTION	42	CHAIN G AND (RESID 1014 THROUGH 1028 )
43	X-RAY DIFFRACTION	43	CHAIN G AND (RESID 1029 THROUGH 1045 )
44	X-RAY DIFFRACTION	44	CHAIN G AND (RESID 1046 THROUGH 1055 )
45	X-RAY DIFFRACTION	45	CHAIN G AND (RESID 1056 THROUGH 1087 )
46	X-RAY DIFFRACTION	46	CHAIN G AND (RESID 1088 THROUGH 1092 )
47	X-RAY DIFFRACTION	47	CHAIN G AND (RESID 1093 THROUGH 1099 )
48	X-RAY DIFFRACTION	48	CHAIN G AND (RESID 1100 THROUGH 1125 )
49	X-RAY DIFFRACTION	49	CHAIN G AND (RESID 1126 THROUGH 1132 )
50	X-RAY DIFFRACTION	50	CHAIN G AND (RESID 1133 THROUGH 1148 )
51	X-RAY DIFFRACTION	51	CHAIN H AND (RESID 1014 THROUGH 1028 )
52	X-RAY DIFFRACTION	52	CHAIN H AND (RESID 1029 THROUGH 1045 )
53	X-RAY DIFFRACTION	53	CHAIN H AND (RESID 1046 THROUGH 1055 )
54	X-RAY DIFFRACTION	54	CHAIN H AND (RESID 1056 THROUGH 1084 )
55	X-RAY DIFFRACTION	55	CHAIN H AND (RESID 1085 THROUGH 1094 )
56	X-RAY DIFFRACTION	56	CHAIN H AND (RESID 1095 THROUGH 1099 )
57	X-RAY DIFFRACTION	57	CHAIN H AND (RESID 1100 THROUGH 1132 )
58	X-RAY DIFFRACTION	58	CHAIN H AND (RESID 1133 THROUGH 1146 )
59	X-RAY DIFFRACTION	59	CHAIN I AND (RESID 1014 THROUGH 1028 )
60	X-RAY DIFFRACTION	60	CHAIN I AND (RESID 1029 THROUGH 1046 )
61	X-RAY DIFFRACTION	61	CHAIN I AND (RESID 1047 THROUGH 1055 )
62	X-RAY DIFFRACTION	62	CHAIN I AND (RESID 1056 THROUGH 1087 )
63	X-RAY DIFFRACTION	63	CHAIN I AND (RESID 1088 THROUGH 1099 )
64	X-RAY DIFFRACTION	64	CHAIN I AND (RESID 1100 THROUGH 1132 )
65	X-RAY DIFFRACTION	65	CHAIN I AND (RESID 1133 THROUGH 1148 )
66	X-RAY DIFFRACTION	66	CHAIN J AND (RESID 1014 THROUGH 1028 )
67	X-RAY DIFFRACTION	67	CHAIN J AND (RESID 1029 THROUGH 1042 )
68	X-RAY DIFFRACTION	68	CHAIN J AND (RESID 1043 THROUGH 1055 )
69	X-RAY DIFFRACTION	69	CHAIN J AND (RESID 1056 THROUGH 1074 )
70	X-RAY DIFFRACTION	70	CHAIN J AND (RESID 1075 THROUGH 1084 )
71	X-RAY DIFFRACTION	71	CHAIN J AND (RESID 1085 THROUGH 1098 )
72	X-RAY DIFFRACTION	72	CHAIN J AND (RESID 1099 THROUGH 1125 )
73	X-RAY DIFFRACTION	73	CHAIN J AND (RESID 1126 THROUGH 1132 )
74	X-RAY DIFFRACTION	74	CHAIN J AND (RESID 1133 THROUGH 1148 )