PDB-7lny: Apo structure of the Histone chaperone ASF1A residues 1-155

ID or keywords:

Entry

Database: PDB / ID: 7lny

Title

Apo structure of the Histone chaperone ASF1A residues 1-155

Components

Histone chaperone ASF1A

Keywords

CELL CYCLE / Histone chaperone / immunoglobulin domain-like / protein interaction / replication-coupled nucleosome assembly / replication-independent nucleosome assembly

Function / homology

Function and homology information

histone chaperone activity / DNA replication-dependent chromatin assembly / muscle cell differentiation / Formation of Senescence-Associated Heterochromatin Foci (SAHF) / DNA repair-dependent chromatin remodeling / replication fork processing / osteoblast differentiation / nucleosome assembly / site of double-strand break / histone binding ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.1 Å

Authors

Simon, B. / Boggon, T.J. / Calderwood, D. / Turk, B.E.

Funding support

United States, 3items

Organization	Grant number	Country
American Heart Association	18POST33960340	United States
National Institutes of Health/National Center for Advancing Translational Sciences (NIH/NCATS)	1R03TR002912-01	United States
National Institutes of Health/National Cancer Institute (NIH/NCI)	P50 CA196530	United States

Citation

Journal: Nat Commun / Year: 2022
Title: Tousled-like kinase 2 targets ASF1 histone chaperones through client mimicry.
Authors: Simon, B. / Lou, H.J. / Huet-Calderwood, C. / Shi, G. / Boggon, T.J. / Turk, B.E. / Calderwood, D.A.

History

Deposition	Feb 8, 2021	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 16, 2022	Provider: repository / Type: Initial release
Revision 1.1	Oct 18, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	7lny.cif.gz	620.8 KB	Display	PDBx/mmCIF format
PDB format	pdb7lny.ent.gz	525 KB	Display	PDB format
PDBx/mmJSON format	7lny.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	7lny_validation.pdf.gz	470.4 KB	Display	wwPDB validaton report
Full document	7lny_full_validation.pdf.gz	480.8 KB	Display
Data in XML	7lny_validation.xml.gz	41 KB	Display
Data in CIF	7lny_validation.cif.gz	57.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ln/7lny ftp://data.pdbj.org/pub/pdb/validation_reports/ln/7lny	HTTPS FTP

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Related structure data

Related structure data	7lo0C 2i32S S: Starting model for refinement C: citing same article (ref.)
Similar structure data	7lny-3 6t1m-d 7lny-4 6t1n-d 7e7a-2 6t1o-d 1tey-d 7lny-5 3qrl-d 7lny-6 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) 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

7lo0C

2i32S

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	#31 - Jul 2002 p53 Tumor Suppressor similarity (1) #213 - Sep 2017 Sirtuins similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #221 - May 2018 Human Papillomavirus and Vaccines similarity (1) #234 - Jun 2019 MDM2 and Cancer similarity (1) #47 - Nov 2003 Simian Virus 40 similarity (1)

Deposited unit

A: Histone chaperone ASF1A

B: Histone chaperone ASF1A

C: Histone chaperone ASF1A

D: Histone chaperone ASF1A

E: Histone chaperone ASF1A

F: Histone chaperone ASF1A

G: Histone chaperone ASF1A

125 kDa, 7 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Histone chaperone ASF1A

defined by author
Evidence: gel filtration
17.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Histone chaperone ASF1A

defined by author
17.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: Histone chaperone ASF1A

defined by author
17.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

D: Histone chaperone ASF1A

defined by author
17.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

E: Histone chaperone ASF1A

defined by author
17.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

F: Histone chaperone ASF1A

defined by author
17.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

7

G: Histone chaperone ASF1A

defined by author
17.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	142.282, 118.980, 109.506
Angle α, β, γ (deg.)	90.000, 103.450, 90.000
Int Tables number	5
Space group name H-M	C121

#1: Protein	Histone chaperone ASF1A / Anti-silencing function protein 1 homolog A / hAsf1 / hAsf1a / CCG1-interacting factor A / CIA / hCIA Mass: 17829.896 Da / Num. of mol.: 7 / Fragment: Residues 1-155 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: ASF1A, CGI-98, HSPC146 / Production host: Escherichia coli (E. coli) / Strain (production host): Rosetta 2 / References: UniProt: Q9Y294
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 465 / Source method: isolated from a natural source / Formula: H₂O

#1: Protein

Histone chaperone ASF1A / Anti-silencing function protein 1 homolog A / hAsf1 / hAsf1a / CCG1-interacting factor A / CIA / hCIA

Mass: 17829.896 Da / Num. of mol.: 7 / Fragment: Residues 1-155
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Homo sapiens (human) / Gene: ASF1A, CGI-98, HSPC146 / Production host:

Escherichia coli (E. coli) / Strain (production host): Rosetta 2 / References: UniProt: Q9Y294

#2: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 465 / 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: 3.65 Å³/Da / Density % sol: 66.3 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 1 ml reservoir of 22% PEG3350 and 6% of Tascimate pH6.0

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 24-ID-C / Wavelength: 0.9792 Å

Detector

Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 17, 2019

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.9792 Å / Relative weight: 1

Reflection

Resolution: 2.1→106.5 Å / Num. obs: 102510 / % possible obs: 99.3 % / Redundancy: 4.4 % / CC_1/2: 0.997 / R_merge(I) obs: 0.061 / R_pim(I) all: 0.032 / R_rim(I) all: 0.069 / Net I/σ(I): 12.8

Reflection shell

Diffraction-ID: 1 / Redundancy: 4.5 %

Resolution (Å)	R_merge(I) obs	Num. measured all	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	Net I/σ(I) obs	% possible all
2.1-2.14	0.698	22481	5048	0.821	0.365	0.791	2.1	99.4
11.5-106.5	0.048	2990	671	0.996	0.026	0.055	29.3	99.9

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Phasing

Phasing

Method:

molecular replacement

Phasing MR

	Highest resolution	Lowest resolution
Rotation	2 Å	106.5 Å
Translation	2 Å	106.5 Å

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Processing

Software

Name	Version	Classification
PHENIX	1.19	refinement
XDS		data reduction
Aimless	0.7.4	data scaling
PHASER	2.8.2	phasing
PDB_EXTRACT	3.27	data extraction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2I32

2i32

Resolution: 2.1→106.5 Å / SU ML: 0.31 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 27.02 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.242	10372	5.17 %	0
R_work	0.2199	190215	-	-
obs	0.221	102489	98.38 %	-

Solvent computation

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

Displacement parameters

B_iso max: 179.67 Å² / B_iso mean: 56.6189 Å² / B_iso min: 26.07 Å²

Refinement step

Cycle: final / Resolution: 2.1→106.5 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8673	0	0	465	9138
B_iso mean	-	-	-	60.05	-
Num. residues	-	-	-	-	1078

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	8904
X-RAY DIFFRACTION	f_angle_d	0.518	12179
X-RAY DIFFRACTION	f_dihedral_angle_d	12.456	5314
X-RAY DIFFRACTION	f_chiral_restr	0.049	1344
X-RAY DIFFRACTION	f_plane_restr	0.003	1623

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	% reflection obs (%)
2.1-2.1239	0.3145	353	0.3559	6287	98
2.1239-2.1489	0.3368	375	0.3479	6324	98
2.1489-2.1751	0.3424	326	0.3222	6281	98
2.1751-2.2026	0.3326	394	0.3265	6350	98
2.2026-2.2316	0.3309	319	0.3104	6286	98
2.2316-2.2622	0.3233	302	0.3103	6293	96
2.2622-2.2945	0.3387	359	0.3084	6301	99
2.2945-2.3287	0.3386	338	0.3058	6458	99
2.3287-2.3651	0.318	321	0.2989	6387	99
2.3651-2.4039	0.297	314	0.2833	6317	99
2.4039-2.4454	0.3262	395	0.292	6421	99
2.4454-2.4898	0.2834	388	0.2867	6320	99
2.4898-2.5377	0.2966	289	0.2834	6365	99
2.5377-2.5895	0.287	356	0.2815	6341	98
2.5895-2.6458	0.3095	360	0.2825	6383	98
2.6458-2.7074	0.2838	324	0.2942	6310	98
2.7074-2.7751	0.3024	323	0.2897	6229	97
2.7751-2.8501	0.2869	360	0.2799	6325	99
2.8501-2.934	0.2806	280	0.2545	6524	99
2.934-3.0287	0.2727	379	0.2506	6345	99
3.0287-3.137	0.2998	357	0.2409	6383	99
3.137-3.2626	0.2463	354	0.2357	6368	99
3.2626-3.4111	0.2602	322	0.2167	6364	98
3.4111-3.5909	0.2344	371	0.2015	6178	96
3.5909-3.8159	0.2098	373	0.1852	6354	99
3.8159-4.1105	0.1698	324	0.1756	6394	99
4.1105-4.5242	0.1832	412	0.1604	6340	99
4.5242-5.1789	0.1653	313	0.1494	6357	98
5.1789-6.5247	0.2024	343	0.1763	6332	98
6.5247-106.5	0.2477	348	0.2007	6298	98

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	0.8268	1.3179	0.3966	3.0319	-0.3496	1.7412	0.8052	0.4866	0.2064	-0.9919	0.01	-1.4232	-0.2569	0.435	0.0991	0.5419	0.1211	-0.0329	0.6002	0.0044	0.5158	71.365	51.948	25.971
2	1.163	-0.8731	0.2446	-0.5061	-1.5345	4.871	0.2854	0.3712	-0.0655	-0.2824	-0.3617	0.0499	0.1654	-0.2787	-0.002	0.3528	0.0381	-0.0226	0.3293	-0.0137	0.3608	64.27	52.173	35.324
3	-0.3537	-0.8254	-0.9473	-0.0176	1.6009	2.6502	0.5232	0.2977	-0.4592	0.2066	-0.0665	-0.1065	0.9081	0.2995	0.0281	0.4111	0.0655	-0.0549	0.3069	-0.0296	0.4089	71.648	45.752	44.926
4	1.0757	-0.2028	0.9822	-0.3734	0.0165	1.8227	0.4028	0.4495	0.119	-0.0864	0.0677	0.1418	1.213	-0.2424	0.0674	0.5287	0.0589	-0.1029	0.4339	-0.0553	0.3217	61.425	48.746	28.92
5	2.1192	-1.3128	-0.3302	0.1459	-0.6127	1.2295	0.1293	0.1209	-0.1593	0.0374	-0.1731	0.023	0.2454	0.1529	-0.0062	0.38	0.0333	-0.0159	0.2944	-0.0046	0.3562	71.707	49.423	46.879
6	1.2449	0.3094	0.3187	0.303	-0.72	0.7138	0.1834	-0.0877	0.1658	0.0076	0.457	-0.5067	0.1481	1.1792	-0.0003	0.3299	0.0757	0.0281	0.4327	-0.0221	0.3413	74.059	54.436	42.177
7	0.8927	0.3776	-0.3566	0.3824	-0.0435	0.2568	0.5316	-0.6426	0.8209	0.2016	-0.6037	0.1793	-0.6301	0.0288	0.0001	0.5731	-0.1241	0.0644	0.5241	-0.0889	0.5819	69.702	64.2	64.082
8	0.2496	-0.5098	-0.1964	0.3746	0.1014	3.2444	-0.0057	0.1565	-0.0367	0.307	-0.3156	-0.2753	-0.7922	-0.7883	-0.0654	0.3587	-0.019	0.005	0.2748	-0.019	0.4217	66.167	60.788	53.303
9	3.5892	-1.5427	-0.0933	2.0316	-1.6463	1.445	0.2569	0.3499	-0.0064	-0.6225	-0.0587	-0.5251	-0.1172	0.6121	0.0159	0.374	0.1133	0.0215	0.4706	0.0834	0.3452	77.613	50.277	31.143
10	6.2612	2.1296	1.2431	2.458	-1.3339	2.1994	-0.0168	-0.5637	0.1959	0.2833	-0.0628	0.3586	-0.3035	-0.3527	0.2244	0.4223	0.1159	-0.0064	0.3906	0.0015	0.4768	86.243	33.369	44.847
11	0.2192	-0.7652	-0.6749	2.1153	0.2901	3.2529	-0.0554	-0.2793	-0.1807	-0.0021	-0.2472	-0.0478	0.2488	0.4196	0.02	0.3515	0.1211	0.0051	0.3623	-0.0133	0.473	91.604	29.382	34.964
12	4.3234	3.9506	-2.7185	7.2839	-2.9835	1.3592	-0.7369	0.8977	0.7867	-1.9071	1.0524	0.7038	0.6149	-1.1324	0.2108	0.5015	0.1807	0.0099	0.4556	-0.0578	0.461	86.481	37.757	26.762
13	1.5215	0.1872	-0.3985	1.0238	0.2971	0.9911	-0.3437	0.6255	0.1491	0.1582	0.585	-0.1626	-0.4697	-1.1608	0.0466	0.4973	0.184	-0.0294	0.5408	-0.0959	0.3533	85.281	35.552	22.781
14	0.6461	-0.0503	0.158	1.281	-1.698	1.5644	-0.137	-0.2171	-0.1109	-0.3808	0.0839	0.194	0.7928	-0.1205	-0.0084	0.4605	0.0615	0.0297	0.408	-0.0044	0.5016	87.904	24.018	39.211
15	1.2753	-0.1611	-0.0163	-0.8905	-0.1558	1.1557	0.0708	0.5334	-0.0627	-0.2342	-0.1239	-0.0481	-0.2141	-0.3206	-0	0.5846	0.1544	0.0469	0.4549	-0.0239	0.4355	89.492	38.45	24.442
16	0.0061	-0.8074	0.2328	1.4732	-0.2097	1.8233	0.0359	0.281	-0.0001	-0.2613	-0.0918	-0.1396	-0.3913	-0.0375	-0	0.4155	0.0927	0.0118	0.3852	-0.0262	0.3125	91.556	40.956	30.912
17	0.0731	-0.2361	-0.2269	0.2417	0.4307	0.7404	0.5309	-0.1893	0.6434	-0.8792	-0.417	-0.8862	-1.1814	0.5384	0.0055	0.9245	0.0307	0.1808	0.7923	0.1288	0.8607	108.71	46.534	14.425
18	0.1165	0.112	0.0076	0.0595	-0.0171	-0.0323	-0.1442	0.052	-0.1492	-0.2544	-0.5263	-0.0318	0.0232	0.3913	-0.0001	0.5443	0.1252	0.0611	0.485	0.0765	0.4039	103.421	38.911	21.804
19	1.5879	-1.5947	0.6867	2.3693	1.2039	2.4293	0.1643	-0.6669	0.0148	-0.1672	-0.3124	0.2931	-0.2625	-0.0128	-0.0001	0.3913	0.1249	-0.0732	0.4295	-0.0044	0.3248	83.639	39.563	40.396
20	1.8831	-0.3735	-1.1301	8.7793	-4.5774	9.7246	0.2697	0.0992	0.3339	-0.2193	0.2377	1.7587	0.5029	-1.0607	0.5448	0.4439	0.1133	-0.0202	0.515	-0.0244	0.4289	45.013	58.663	28.431
21	-0.0226	0.2087	-0.1197	-0.0277	-0.0443	0.0207	0.0486	-0.0126	0.1527	-0.023	-0.3649	0.2638	-0.612	0.1772	0.0001	0.702	0.0221	0.0727	0.493	0.0992	0.526	60.824	72.66	14.687
22	0.8335	-0.1864	1.8501	0.0507	-0.1825	2.4611	0.0394	-0.1534	-0.3217	-0.0282	-0.1763	-0.402	0.3084	-0.0857	0.0002	0.4522	0.085	0.0273	0.4405	-0.0262	0.4537	52.233	56.192	28.579
23	0.5004	0.696	-1.7865	0.3895	-0.1467	1.7654	0.191	0.7947	0.1315	-0.695	0.184	0.0553	0.6335	-0.146	0	0.4946	0.0903	-0.0196	0.6603	0.0544	0.4415	53.173	58.393	10.685
24	0.3178	-1.1643	-0.0898	0.5567	-0.041	0.3891	-0.1011	0.2838	0.0509	0.0207	0.0692	-0.2957	0.194	0.0174	-0.0227	0.4094	0.0707	-0.0528	0.4198	0.0507	0.3959	55.737	57.866	29.662
25	1.8615	0.1624	-1.4207	0.4584	0.9754	1.5527	0.0856	0.4566	0.1758	-0.4139	0.0448	-0.0982	-0.4252	-0.425	0	0.5499	0.0993	0.0219	0.6566	0.031	0.4128	53.236	62.46	9.441
26	1.9124	-1.017	0.5051	1.4118	1.9178	3.5779	0.2004	0.3504	0.169	0.3797	-0.1457	-0.2596	-0.7067	-0.5477	0.0004	0.3574	0.1681	0.0014	0.4786	0.0456	0.3751	48.324	65.52	13.83
27	0.1259	-0.1623	-0.1053	0.0889	0.0399	0.0682	-0.0542	0.6195	0.4883	-0.1439	0.2823	-0.7621	-0.6677	-0.4791	-0	1.0369	0.0824	0.227	0.8764	0.3198	0.8216	58.947	82.571	0.03
28	0.0154	0.0977	0.2567	0.1547	0.1331	0.4155	0.3973	0.6001	0.3862	-0.737	-0.442	-0.4141	-1.4857	0.0786	-0.0006	0.7886	0.0895	0.2233	0.6869	0.2044	0.5882	58.789	75.437	9.036
29	3.6852	0.4781	-0.5318	0.8416	1.4029	2.6421	0.5511	0.3469	0.0004	0.8998	-0.5206	0.8262	-0.0748	-0.6526	-0.0013	0.5121	0.0799	-0.0075	0.5594	-0.07	0.3487	41.313	58.197	21.318
30	9.1676	0.1188	-1.2253	0.9819	0.4609	1.7382	-0.348	-1.1412	1.0224	0.5526	0.3562	0.0158	-0.1665	0.1565	0.06	0.7835	0.0503	-0.0311	0.7146	0.0993	0.4704	79.97	50.195	105.573
31	0.2038	-0.3243	-0.0219	0.3206	0.0297	-0.0107	-0.3801	-0.9563	-0.3514	0.5998	-0.2014	-1.0565	0.397	1.059	-0.0059	0.5068	0.1289	-0.0567	0.8286	0.1415	0.7245	101.691	43.903	92.793
32	0.3817	0.3971	-0.8767	2.4427	-1.3251	0.9297	-0.0342	0.4338	-0.0533	0.5645	0.3115	0.2153	0.8521	-0.3636	0.0051	0.5996	0.0412	-0.073	0.7785	0.0572	0.4641	80.858	43.169	103.166
33	2.4708	-0.0427	-0.4618	0.4099	1.7054	2.4537	-0.1902	0.7955	0.4758	-0.2448	0.6733	0.1478	-0.0094	-0.6179	0.0003	0.4111	0.0469	-0.0392	0.5518	0.0535	0.446	86.523	47.782	87.092
34	-0.0601	0.1604	-0.3354	-0.0774	0.0031	0.4762	0.027	-0.3367	-0.4393	-0.1521	-0.0721	-0.1766	0.5916	0.8278	-0.0008	0.6199	0.0777	0.0056	0.5273	0.1506	0.4774	83.484	39.846	103.925
35	1.1998	-0.8946	-0.2535	0.0639	-0.4809	2.8855	-0.1542	0.0257	-0.1185	0.1138	0.0957	-0.1037	-0.144	-0.0129	-0.0001	0.4906	0.0104	-0.0146	0.4684	-0.0598	0.4181	90.629	49.303	86.66
36	-0.1221	0.0322	-0.3214	0.4977	-0.464	2.2764	0.1662	0.0647	0.4201	0.1132	0.0897	-0.2138	-0.2669	0.2104	0.0001	0.4104	0.0058	-0.0463	0.5099	-0.0739	0.429	91.167	53.512	92.747
37	0.3491	0.3902	-0.077	0.5553	-0.01	-0.0313	-0.1217	-0.5809	-0.0011	0.4546	-0.2532	-0.5351	-0.2476	1.1131	-0.0002	0.549	-0.021	-0.0868	1.0015	-0.0354	0.7094	112.722	52.377	81.308
38	0.6808	-1.0966	-1.1342	2.3298	1.9117	1.7907	-0.1227	-1.8681	0.02	-0.3991	0.5529	-0.9135	-0.9809	2.352	0.1399	0.4241	0.1282	-0.0198	0.9229	0.0359	0.6059	104.688	48.099	88.506
39	0.7336	-1.8477	0.1573	3.8021	0.1258	2.4646	0.0421	-0.8919	0.8301	0.0199	0.0927	0.037	-0.2696	-0.1236	-0.0043	0.5729	0.0441	-0.0461	0.5551	-0.0519	0.2804	80.701	55.581	99.244
40	2.4242	-0.0957	-1.9055	1.7989	-0.2833	5.3587	0.4408	-0.073	-0.2974	0.2315	0.0762	-0.5872	0.1968	-0.3317	0.2693	0.5106	0.1586	0.0034	0.268	-0.0503	0.6469	102.922	14.928	48.475
41	0.7441	-0.2865	0.5929	1.0291	-0.7301	0.3973	0.0436	0.7839	-0.1518	-0.3035	-0.1417	0.0439	0.7547	-0.3008	-0.0128	0.4824	0.1062	0.0137	0.5861	-0.0704	0.5625	97.098	16.346	39.61
42	1.1722	-1.5604	-1.1298	1.0102	0.9832	1.5361	-0.1917	-0.6116	-0.2486	0.5099	0.5302	0.2287	0.2899	-1.505	0.0148	0.5061	0.0457	0.0561	0.5488	0.0631	0.5399	93.002	11.219	56.376
43	0.9447	-0.0394	-0.2397	1.377	-0.8651	0.3593	0.2049	0.4076	-0.0146	-0.1274	-0.0704	-0.0023	0.3206	0.2907	0.0001	0.4637	0.1412	0.0344	0.459	-0.0123	0.4635	98.408	20.561	40.512
44	2.2275	-0.725	-1.5931	1.6021	0.4213	0.7671	-0.1244	-0.6135	-0.4472	0.3963	0.1546	0.1997	-0.1335	-0.2196	-0	0.627	0.1013	0.0385	0.5523	0.0564	0.5723	96.257	10.898	59.253
45	1.3576	0.2149	-1.1201	1.6847	-1.5574	1.4107	-0.2961	-0.9349	-0.1906	0.1583	0.0438	-0.0686	-0.6855	-0.7249	-0.0034	0.4756	0.1283	-0.1303	0.3948	-0.0541	0.526	101.694	8.23	55.012
46	0.2116	-0.3327	0.129	0.1574	-0.0913	0.0529	-0.7637	-1.7727	0.5105	1.3006	0.7785	-1.0477	-0.9477	0.3851	0.0005	1.3521	0.2122	-0.2955	1.3439	-0.0337	0.9192	110.828	13.562	77.039
47	0.206	0.0767	-0.3126	-0.0886	-0.0488	0.4497	-0.3135	-1.971	0.0201	0.7023	0.6516	-0.5054	-0.5936	1.2981	0.014	0.7855	0.1657	-0.1377	0.8205	-0.1003	0.5715	107.14	16.527	66.308
48	3.1962	0.4375	1.6286	1.5963	-0.8915	1.4945	0.542	1.8043	-1.5391	-0.2789	0.3993	-0.1162	0.4799	0.9727	0.0517	0.5391	0.1393	-0.0936	0.557	-0.1682	0.6715	98.53	4.445	43.545
49	0.3056	0.3996	0.336	0.5474	0.3122	0.5176	0.2001	0.2739	-0.1702	-0.4151	-0.1312	-0.8019	-0.0619	0.6049	0.0002	0.5194	0.1127	0.1343	0.6178	0.0536	0.7689	112.219	31.991	42.771
50	0.7622	0.3806	-1.9355	0.9874	0.6358	2.3127	-0.0361	0.065	0.2205	-0.1396	0.1868	-0.6507	0.3563	0.3752	-0.0023	0.4309	0.1048	0.0028	0.5039	0.0243	0.5867	106.811	30.787	50.836
51	1.6356	-0.2353	-1.1359	-0.1629	0.5906	1.5746	-0.4379	-0.5231	0.4399	0.3664	0.795	-0.9103	-0.2191	1.369	0.0036	0.5033	0.1019	-0.0978	0.6926	-0.0252	0.6451	111.5	39.471	60.895
52	0.6293	-0.1832	0.1167	1.725	1.3038	1.2395	-0.0685	-0.2673	-0.2255	0.1338	0.3312	-0.5406	0.2232	0.6635	0.0136	0.4468	0.099	0.0169	0.5623	0.0093	0.6162	108.837	35.184	55.899
53	0.027	0.712	-0.1496	1.9497	0.6525	0.8278	-0.0443	-0.143	-0.1499	-0.0842	0.1787	-0.5994	-0.4281	0.3543	0.0281	0.3314	-0.018	0.0405	0.5223	-0.0008	0.579	107.836	43.089	52.957
54	1.5052	-0.093	-0.4473	0.3156	-0.2662	0.7079	-0.0636	0.2002	0.2629	0.3829	-0.0355	0.2238	-0.1241	0.0554	-0	0.4334	0.014	-0.0131	0.4254	0.0158	0.4061	88.849	51.003	64.602
55	0.312	0.2241	0.9672	2.1269	0.2206	2.5434	0.2538	0.2599	-0.2309	-0.5002	-0.1455	-0.6637	-0.2763	0.5514	0.0012	0.4908	0.0382	0.1193	0.488	-0.0025	0.6266	111.67	40.165	48.232
56	2.5766	0.3528	0.7757	1.5788	2.4299	9.5002	-0.5235	0.0295	0.1349	-0.1696	0.2382	-0.3481	-1.3956	1.6734	0.4629	0.6195	0.1181	-0.0618	0.2874	0.1107	0.5891	108.621	27.537	3.246
57	0.5325	0.8778	0.3979	0.7192	-0.3201	0.796	-0.3837	0.0809	-0.5525	-0.6028	-0.1497	-0.4196	-0.8519	0.9435	0.0075	0.6501	0.0543	0.0069	0.3519	0.0458	0.6148	107.135	29.738	-3.421
58	1.7815	-0.0263	-0.8504	0.6595	-1.5109	2.1944	-0.3725	0.6219	0.0098	-0.9386	0.8664	0.9438	1.2876	-2.1069	0.0612	0.7697	-0.1524	-0.0757	0.6657	-0.0219	0.6805	98.895	24.634	-8.379
59	2.1448	0.7208	-0.4068	0.7728	0.2335	0.1709	-0.3247	0.4156	-0.2968	-1.049	0.3337	0.9215	1.246	-1.1011	-0.0095	0.8028	0.0272	0.1124	0.6107	0.003	0.8837	98.518	18.953	2.403
60	-0.2279	0.4194	-0.2952	0.3164	-0.3392	0.0173	0.064	-0.0533	0.0877	-0.0395	0.2138	0.211	-0.385	-0.3134	-0	0.574	0.0449	-0.0875	0.4791	0.0776	0.5303	104.639	32.609	-4.172
61	0.9207	-0.2443	-0.8387	2.4541	0.6351	1.9944	-0.9417	0.0881	-0.0389	-0.181	-0.2117	0.1829	0.8913	-0.9245	-0.1466	0.6889	0.0291	0.2864	0.4696	-0.0118	0.6732	101.777	17.987	7.777
62	1.2629	1.354	-0.8047	1.8435	-1.3668	2.4768	-1.1122	-0.5686	-0.06	-0.6331	-0.424	0.3505	-0.4885	-1.238	-0.2227	0.6627	0.1303	0.1418	0.491	0.018	0.5936	108.364	18.313	4.476
63	0.3466	-0.1469	-0.1376	0.9479	-0.9579	1.266	-0.9082	-1.3372	-0.6652	0.3661	-0.0499	-0.9947	-0.4363	0.7401	-0.0369	0.9171	0.3381	0.273	1.1507	0.2352	0.9143	110.893	19.429	29.116
64	1.1282	0.5714	-0.1987	0.3207	0.5452	2.7113	-0.1902	0.0833	-0.4642	-0.2257	-0.9344	-0.4842	-1.8837	0.7575	-0.1173	0.6218	0.1557	0.0577	0.5232	0.2059	0.6633	111.787	23.271	13.552
65	0.6288	-0.1952	-0.4076	-0.0739	0.1141	0.2143	-0.0703	0.6278	-1.0526	-0.2325	-0.0121	0.7485	0.0288	0.7732	-0.0002	1.0065	-0.0549	0.2146	0.6615	-0.1197	0.8497	106.297	15.615	-10.815

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 2:13 )	A	2 - 13
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 14:39 )	A	14 - 39
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 40:63 )	A	40 - 63
4	X-RAY DIFFRACTION	4	( CHAIN A AND RESID 64:78 )	A	64 - 78
5	X-RAY DIFFRACTION	5	( CHAIN A AND RESID 79:105 )	A	79 - 105
6	X-RAY DIFFRACTION	6	( CHAIN A AND RESID 106:119 )	A	106 - 119
7	X-RAY DIFFRACTION	7	( CHAIN A AND RESID 120:133 )	A	120 - 133
8	X-RAY DIFFRACTION	8	( CHAIN A AND RESID 134:141 )	A	134 - 141
9	X-RAY DIFFRACTION	9	( CHAIN A AND RESID 142:156 )	A	142 - 156
10	X-RAY DIFFRACTION	10	( CHAIN B AND RESID 2:13 )	B	2 - 13
11	X-RAY DIFFRACTION	11	( CHAIN B AND RESID 14:39 )	B	14 - 39
12	X-RAY DIFFRACTION	12	( CHAIN B AND RESID 40:52 )	B	40 - 52
13	X-RAY DIFFRACTION	13	( CHAIN B AND RESID 53:63 )	B	53 - 63
14	X-RAY DIFFRACTION	14	( CHAIN B AND RESID 64:78 )	B	64 - 78
15	X-RAY DIFFRACTION	15	( CHAIN B AND RESID 79:105 )	B	79 - 105
16	X-RAY DIFFRACTION	16	( CHAIN B AND RESID 106:119 )	B	106 - 119
17	X-RAY DIFFRACTION	17	( CHAIN B AND RESID 120:133 )	B	120 - 133
18	X-RAY DIFFRACTION	18	( CHAIN B AND RESID 134:141 )	B	134 - 141
19	X-RAY DIFFRACTION	19	( CHAIN B AND RESID 142:156 )	B	142 - 156
20	X-RAY DIFFRACTION	20	( CHAIN C AND RESID 3:13 )	C	3 - 13
21	X-RAY DIFFRACTION	21	( CHAIN C AND RESID 14:23 )	C	14 - 23
22	X-RAY DIFFRACTION	22	( CHAIN C AND RESID 24:39 )	C	24 - 39
23	X-RAY DIFFRACTION	23	( CHAIN C AND RESID 40:64 )	C	40 - 64
24	X-RAY DIFFRACTION	24	( CHAIN C AND RESID 65:78 )	C	65 - 78
25	X-RAY DIFFRACTION	25	( CHAIN C AND RESID 79:105 )	C	79 - 105
26	X-RAY DIFFRACTION	26	( CHAIN C AND RESID 106:119 )	C	106 - 119
27	X-RAY DIFFRACTION	27	( CHAIN C AND RESID 120:133 )	C	120 - 133
28	X-RAY DIFFRACTION	28	( CHAIN C AND RESID 134:141 )	C	134 - 141
29	X-RAY DIFFRACTION	29	( CHAIN C AND RESID 142:156 )	C	142 - 156
30	X-RAY DIFFRACTION	30	( CHAIN D AND RESID 2:13 )	D	2 - 13
31	X-RAY DIFFRACTION	31	( CHAIN D AND RESID 14:23 )	D	14 - 23
32	X-RAY DIFFRACTION	32	( CHAIN D AND RESID 24:39 )	D	24 - 39
33	X-RAY DIFFRACTION	33	( CHAIN D AND RESID 40:64 )	D	40 - 64
34	X-RAY DIFFRACTION	34	( CHAIN D AND RESID 65:78 )	D	65 - 78
35	X-RAY DIFFRACTION	35	( CHAIN D AND RESID 79:105 )	D	79 - 105
36	X-RAY DIFFRACTION	36	( CHAIN D AND RESID 106:119 )	D	106 - 119
37	X-RAY DIFFRACTION	37	( CHAIN D AND RESID 120:133 )	D	120 - 133
38	X-RAY DIFFRACTION	38	( CHAIN D AND RESID 134:141 )	D	134 - 141
39	X-RAY DIFFRACTION	39	( CHAIN D AND RESID 142:156 )	D	142 - 156
40	X-RAY DIFFRACTION	40	( CHAIN E AND RESID 3:23 )	E	3 - 23
41	X-RAY DIFFRACTION	41	( CHAIN E AND RESID 24:39 )	E	24 - 39
42	X-RAY DIFFRACTION	42	( CHAIN E AND RESID 40:64 )	E	40 - 64
43	X-RAY DIFFRACTION	43	( CHAIN E AND RESID 65:78 )	E	65 - 78
44	X-RAY DIFFRACTION	44	( CHAIN E AND RESID 79:105 )	E	79 - 105
45	X-RAY DIFFRACTION	45	( CHAIN E AND RESID 106:119 )	E	106 - 119
46	X-RAY DIFFRACTION	46	( CHAIN E AND RESID 120:133 )	E	120 - 133
47	X-RAY DIFFRACTION	47	( CHAIN E AND RESID 134:141 )	E	134 - 141
48	X-RAY DIFFRACTION	48	( CHAIN E AND RESID 142:156 )	E	142 - 156
49	X-RAY DIFFRACTION	49	( CHAIN F AND RESID 4:13 )	F	4 - 13
50	X-RAY DIFFRACTION	50	( CHAIN F AND RESID 14:39 )	F	14 - 39
51	X-RAY DIFFRACTION	51	( CHAIN F AND RESID 40:63 )	F	40 - 63
52	X-RAY DIFFRACTION	52	( CHAIN F AND RESID 64:105 )	F	64 - 105
53	X-RAY DIFFRACTION	53	( CHAIN F AND RESID 106:119 )	F	106 - 119
54	X-RAY DIFFRACTION	54	( CHAIN F AND RESID 120:136 )	F	120 - 136
55	X-RAY DIFFRACTION	55	( CHAIN F AND RESID 137:156 )	F	137 - 156
56	X-RAY DIFFRACTION	56	( CHAIN G AND RESID 4:23 )	G	4 - 23
57	X-RAY DIFFRACTION	57	( CHAIN G AND RESID 24:32 )	G	24 - 32
58	X-RAY DIFFRACTION	58	( CHAIN G AND RESID 33:46 )	G	33 - 46
59	X-RAY DIFFRACTION	59	( CHAIN G AND RESID 47:69 )	G	47 - 69
60	X-RAY DIFFRACTION	60	( CHAIN G AND RESID 70:78 )	G	70 - 78
61	X-RAY DIFFRACTION	61	( CHAIN G AND RESID 79:105 )	G	79 - 105
62	X-RAY DIFFRACTION	62	( CHAIN G AND RESID 106:119 )	G	106 - 119
63	X-RAY DIFFRACTION	63	( CHAIN G AND RESID 120:133 )	G	120 - 133
64	X-RAY DIFFRACTION	64	( CHAIN G AND RESID 134:146 )	G	134 - 146
65	X-RAY DIFFRACTION	65	( CHAIN G AND RESID 147:155 )	G	147 - 155

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