PDB-8hni: hnRNP A2/B1 RRMs in complex with telomeric DNA

ID or keywords:

Entry

Database: PDB / ID: 8hni

Title

hnRNP A2/B1 RRMs in complex with telomeric DNA

Components

DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')
Heterogeneous nuclear ribonucleoproteins A2/B1

Keywords

DNA BINDING PROTEIN /

complex /

homodimerization / DNA G4 quadruplex

Function / homology

Function and homology information

positive regulation of telomerase RNA reverse transcriptase activity / miRNA transport / positive regulation of telomere maintenance via telomere lengthening / RNA transport / G-quadruplex DNA unwinding / primary miRNA processing / single-stranded telomeric DNA binding / N6-methyladenosine-containing RNA reader activity / G-rich strand telomeric DNA binding / miRNA binding ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.644 Å

Authors

Liu, Y. / Abula, A. / Xiao, H. / Guo, H. / Li, T. / Zheng, L. / Chen, B. / Nguyen, H. / Ji, X.

Funding support

1items

Citation

Journal: J.Mol.Biol. / Year: 2023
Title: Structural Insight Into hnRNP A2/B1 Homodimerization and DNA Recognition.
Authors: Liu, Y. / Abula, A. / Xiao, H. / Guo, H. / Li, T. / Zheng, L. / Chen, B. / Nguyen, H.C. / Ji, X.

History

Deposition	Dec 7, 2022	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Nov 29, 2023	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8hni.cif.gz	1.3 MB	Display	PDBx/mmCIF format
PDB format	pdb8hni.ent.gz	1.1 MB	Display	PDB format
PDBx/mmJSON format	8hni.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/hn/8hni ftp://data.pdbj.org/pub/pdb/validation_reports/hn/8hni	HTTPS FTP

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Related structure data

Related structure data	7wm3C 1u1qS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#67 - Jul 2005 TATA-Binding Protein similarity (1) #91 - Jul 2007 Thymine Dimers similarity (1) #255 - Mar 2021 Cisplatin and DNA similarity (1) #168 - Dec 2013 DNA Helicase similarity (1) #253 - Jan 2021 Expressome similarity (1) #181 - Jan 2015 Cascade and CRISPR similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #150 - Jun 2012 Sliding Clamps similarity (1) #227 - Nov 2018 Telomerase similarity (1) #180 - Dec 2014 TAL Effectors similarity (1) #48 - Dec 2003 Catabolite Activator Protein similarity (1) #112 - Apr 2009 Oct and Sox Transcription Factors similarity (1) #135 - Mar 2011 Integrase similarity (1) #84 - Dec 2006 Transposase similarity (1) #40 - Apr 2003 RNA Polymerase similarity (1) #155 - Nov 2012 Vitamin D Receptor similarity (1) #3 - Mar 2000 DNA Polymerase similarity (1) #73 - Jan 2006 Topoisomerase similarity (1) #87 - Mar 2007 Zinc Fingers similarity (1) #139 - Jul 2011 DNA Methyltransferase similarity (1) #39 - Mar 2003 lac Repressor similarity (1) #92 - Aug 2007 Anabolic Steroids similarity (1) #45 - Sep 2003 Estrogen Receptor similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #7 - Jul 2000 Nucleosome similarity (1) #8 - Aug 2000 Restriction Enzymes similarity (1) #33 - Sep 2002 HIV Reverse Transcriptase similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #31 - Jul 2002 p53 Tumor Suppressor similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1) #257 - May 2021 Fetal Hemoglobin similarity (1) #23 - Nov 2001 DNA similarity (1) #190 - Oct 2015 Two-component Systems similarity (1) #160 - Apr 2013 Actinomycin similarity (1) #131 - Nov 2010 Inteins similarity (1) #125 - May 2010 Parvoviruses similarity (1) #119 - Nov 2009 Designed DNA Crystal similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1) #130 - Oct 2010 Riboswitches similarity (1) #94 - Oct 2007 Superoxide Dismutase similarity (1) #128 - Aug 2010 Interferons similarity (1) #163 - Jul 2013 HIV Capsid similarity (1) #65 - May 2005 Self-splicing RNA similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

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similarity (1)
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similarity (1)
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Hypoxia-Inducible Factors
similarity (1)
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similarity (1)
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#160 - Apr 2013
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similarity (1)
#131 - Nov 2010
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similarity (1)
#125 - May 2010
Parvoviruses
similarity (1)
#119 - Nov 2009
Designed DNA Crystal
similarity (1)
#241 - Jan 2020
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similarity (1)
#130 - Oct 2010
Riboswitches
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#94 - Oct 2007
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Deposited unit

A: Heterogeneous nuclear ribonucleoproteins A2/B1

B: Heterogeneous nuclear ribonucleoproteins A2/B1

C: Heterogeneous nuclear ribonucleoproteins A2/B1

D: Heterogeneous nuclear ribonucleoproteins A2/B1

E: Heterogeneous nuclear ribonucleoproteins A2/B1

F: Heterogeneous nuclear ribonucleoproteins A2/B1

M: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

N: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

O: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

P: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

Q: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

R: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

S: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

T: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

U: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

V: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

W: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

X: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

G: Heterogeneous nuclear ribonucleoproteins A2/B1

H: Heterogeneous nuclear ribonucleoproteins A2/B1

I: Heterogeneous nuclear ribonucleoproteins A2/B1

J: Heterogeneous nuclear ribonucleoproteins A2/B1

K: Heterogeneous nuclear ribonucleoproteins A2/B1

L: Heterogeneous nuclear ribonucleoproteins A2/B1

292 kDa, 24 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Heterogeneous nuclear ribonucleoproteins A2/B1

M: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

O: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

G: Heterogeneous nuclear ribonucleoproteins A2/B1

defined by author
Evidence: gel filtration
48.6 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Heterogeneous nuclear ribonucleoproteins A2/B1

N: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

P: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

H: Heterogeneous nuclear ribonucleoproteins A2/B1

defined by author
48.6 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: Heterogeneous nuclear ribonucleoproteins A2/B1

T: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

V: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

I: Heterogeneous nuclear ribonucleoproteins A2/B1

defined by author
48.6 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

D: Heterogeneous nuclear ribonucleoproteins A2/B1

S: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

U: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

J: Heterogeneous nuclear ribonucleoproteins A2/B1

defined by author
48.6 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

E: Heterogeneous nuclear ribonucleoproteins A2/B1

Q: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

R: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

K: Heterogeneous nuclear ribonucleoproteins A2/B1

defined by author
48.6 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

F: Heterogeneous nuclear ribonucleoproteins A2/B1

W: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

X: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3')

L: Heterogeneous nuclear ribonucleoproteins A2/B1

defined by author
48.6 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	225.252, 98.306, 145.928
Angle α, β, γ (deg.)	90.00, 130.37, 90.00
Int Tables number	5
Space group name H-M	C121

#1: Protein	Heterogeneous nuclear ribonucleoproteins A2/B1 / hnRNP A2/B1 Mass: 20534.172 Da / Num. of mol.: 12 / Fragment: UNP RESIDUES 15-193 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: HNRNPA2B1, HNRPA2B1 / Production host: Escherichia coli (E. coli) / References: UniProt: P22626
#2: DNA chain	DNA (5'-D(PTPAPGPGPGPTPTPAPGPGPGPT)-3') Mass: 3773.462 Da / Num. of mol.: 12 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.11 Å³/Da / Density % sol: 41.71 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion, sitting drop Details: 200 mM LiCl, 0.1 M MES pH 6.0 , 20% (w/v) polyethylene glycol (PEG) 6000

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U1 / Wavelength: 0.979 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jul 19, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 2.64→49.4 Å / Num. obs: 70959 / % possible obs: 99.66 % / Redundancy: 5.6 % / CC_1/2: 0.977 / Net I/σ(I): 32.6
Reflection shell	Resolution: 2.64→2.69 Å / Num. unique obs: 3533 / R_pim(I) all: 0.089

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Processing

Software

Name	Version	Classification
PHENIX	(1.10_2148: ???)	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1U1Q

1u1q

Resolution: 2.644→46.801 Å / SU ML: 0.37 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 29.2 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2615	1996	2.82 %
R_work	0.237	-	-
obs	0.2377	70859	99.55 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.644→46.801 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16018	2806	0	0	18824

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	19717
X-RAY DIFFRACTION	f_angle_d	0.524	27193
X-RAY DIFFRACTION	f_dihedral_angle_d	18.727	11122
X-RAY DIFFRACTION	f_chiral_restr	0.043	2935
X-RAY DIFFRACTION	f_plane_restr	0.002	3076

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 (%)
2.644-2.7096	0.3795	138	0.3551	4697	X-RAY DIFFRACTION	96
2.7096-2.7829	0.3646	144	0.3417	4925	X-RAY DIFFRACTION	100
2.7829-2.8647	0.3617	143	0.3361	4921	X-RAY DIFFRACTION	100
2.8647-2.9572	0.3437	142	0.322	4890	X-RAY DIFFRACTION	100
2.9572-3.0629	0.3681	144	0.3159	4904	X-RAY DIFFRACTION	100
3.0629-3.1855	0.3075	144	0.2951	4943	X-RAY DIFFRACTION	100
3.1855-3.3304	0.2713	142	0.267	4917	X-RAY DIFFRACTION	100
3.3304-3.506	0.2646	145	0.252	4961	X-RAY DIFFRACTION	100
3.506-3.7255	0.2571	142	0.2271	4910	X-RAY DIFFRACTION	100
3.7255-4.013	0.2358	137	0.2119	4931	X-RAY DIFFRACTION	100
4.013-4.4166	0.2076	144	0.1942	4967	X-RAY DIFFRACTION	100
4.4166-5.055	0.2166	144	0.1919	4920	X-RAY DIFFRACTION	100
5.055-6.3663	0.2437	143	0.2115	4998	X-RAY DIFFRACTION	100
6.3663-10	0.234	144	0.2017	4979	X-RAY DIFFRACTION	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	4.4501	0.3967	0.7648	2.7178	1.4754	5.639	-0.1543	0.9351	0.2626	-0.4318	0.0655	0.3471	-0.0761	-0.6035	0.0115	0.5066	-0.0192	-0.1312	0.6731	-0.0894	0.5986	18.5022	7.8697	19.2966
2	6.2276	-0.4355	0.59	4.1015	0.9205	6.7628	0.1342	1.3523	0.1541	-0.7849	-0.0511	0.192	-0.0857	-0.4195	-0.0466	0.57	-0.0252	-0.0059	0.5456	-0.0569	0.52	21.3064	6.6772	20.9878
3	2.7826	-0.3658	-1.1929	4.1443	-0.5943	3.6831	-0.2491	0.0523	-0.5484	0.1643	0.0226	0.4799	0.3351	-0.4672	0.2463	0.5172	-0.0955	0.0898	0.3948	-0.1725	0.7269	20.1292	-11.0574	40.0712
4	3.4737	0.075	-0.6889	6.2464	-0.4797	5.6104	0.1004	0.4377	0.5034	-0.2258	-0.0761	0.5795	-0.6422	-0.4307	-0.0906	0.4666	0.0365	-0.0606	0.4036	0.0463	0.5807	21.2239	29.4031	38.5116
5	5.2846	1.2863	0.6672	4.6447	1.1935	4.0657	-0.0835	0.2906	-0.1575	-0.0352	0.4984	-1.0128	-0.3795	0.9411	-0.2369	0.5509	-0.1492	-0.0355	0.6203	-0.1876	0.5771	46.4386	23.3622	46.9496
6	3.816	-0.0017	-0.6482	5.847	-0.8256	5.1815	0.3404	0.1591	0.0193	0.3663	-0.342	-1.0785	0.3698	0.1784	0.5174	0.7024	-0.1224	-0.2073	0.7485	0.1401	0.5655	52.6481	52.4403	24.2324
7	1.5667	1.705	-0.3154	2.28	-1.1574	1.452	0.3254	-1.0028	0.3156	1.6141	-0.3831	-0.3154	-0.3819	1.092	-0.0315	1.2808	-0.3118	-0.1235	1.163	0.0188	0.5238	49.6551	57.2439	36.9948
8	4.8515	1.7896	-0.3386	7.0663	-0.8427	3.7556	0.8973	-0.6625	-1.4868	0.7105	-0.9267	-1.4582	0.6823	1.0609	-0.017	0.8752	0.0061	-0.2519	0.9245	0.138	0.8111	55.0574	48.7953	28.7303
9	0.9342	-0.255	0.3244	0.2356	-0.5647	1.8124	0.3414	-0.8514	-0.3615	1.3135	-0.1802	-0.0253	0.1395	0.2275	0.0426	1.1035	-0.1503	-0.2507	0.9036	0.2238	0.5483	46.2784	48.5614	31.3522
10	4.5094	0.3757	-1.2561	4.945	-0.6134	5.7959	-0.0764	0.0318	-0.789	-0.1793	0.0468	-0.498	0.9478	0.431	0.0281	0.6707	0.1254	0.077	0.5058	0.1546	0.6463	43.8227	33.793	14.0016
11	8.0673	-3.0742	-1.5691	3.3518	3.9755	5.8121	-0.2815	0.6996	0.2125	-0.7464	-0.3074	0.3826	0.558	-0.2022	0.1757	0.5736	0.0444	-0.0561	0.4677	0.1607	0.5602	37.5103	39.4782	12.984
12	4.3913	0.7391	0.3372	6.1964	1.1947	5.6125	0.0923	-0.1149	0.6714	0.5108	-0.2478	-0.9326	-0.5386	1.4053	0.1773	0.7168	-0.2964	-0.0771	0.8016	0.0938	0.6974	54.1705	72.6727	12.6259
13	4.2977	-0.876	0.3872	7.0212	0.0482	5.1978	0.0757	-0.6919	1.4176	0.5494	0.1643	-0.0692	-1.5156	0.29	-0.2317	0.9305	-0.2152	-0.009	0.5715	-0.1121	0.8331	46.6565	78.8582	16.3108
14	5.6702	1.5456	-0.4828	5.0659	-0.2854	4.6002	-0.0261	-0.2244	0.9415	0.0081	-0.3062	-0.3723	-0.7807	0.6699	0.6	0.6952	-0.221	-0.0112	0.607	0.0519	0.5924	46.5727	74.5386	8.428
15	5.94	0.1979	-0.0014	4.65	-0.7989	4.7463	-0.088	-0.486	1.6443	0.1823	0.319	0.6977	-0.9809	-0.4385	-0.2668	0.7806	0.05	0.1217	0.5502	-0.0143	0.9492	24.0492	75.6458	10.8777
16	1.0736	-0.4055	-1.9395	4.4311	-3.0066	6.8039	0.1642	1.5709	1.4815	-0.2433	1.0582	1.1872	0.2006	-1.0979	-0.8483	0.7876	0.0972	-0.0844	0.7206	0.2777	1.2158	15.1679	75.3598	3.465
17	5.7041	0.8439	1.3127	4.0284	-2.2258	3.047	0.355	-0.2122	1.1805	0.1435	0.0575	0.5897	-0.1791	-0.1347	-0.3883	0.7545	0.0317	0.2208	0.4016	0.0659	0.801	26.9919	72.4223	10.2923
18	4.1651	0.7874	-2.3203	7.6267	-2.8938	6.2191	-0.0833	0.785	-0.6963	-0.5256	0.5347	-0.1728	1.2475	-0.0172	-0.1484	0.7733	0.1036	-0.2206	0.6183	-0.31	0.8656	-8.9025	-24.5079	26.4327
19	4.4492	-0.602	0.3063	3.1894	1.1214	5.8942	-0.0024	-0.063	-0.174	0.2102	-0.0418	-0.3095	0.4074	0.2293	0.0017	0.3745	0.0264	-0.0463	0.3688	0.0526	0.551	-9.6119	-6.6688	42.4759
20	0.8726	-0.8196	1.1348	5.9041	2.2323	3.5818	0.6228	1.6671	-1.43	-0.9237	-0.4422	0.1891	0.5476	0.4163	-0.3136	0.8444	0.2624	-0.3272	0.882	-0.3717	0.9836	82.1309	30.4993	16.4102
21	4.3177	0.6202	0.8974	3.0643	1.275	0.6418	0.5187	0.5991	-2.4294	-0.7799	0.1091	1.2348	0.8803	-0.1653	0.3509	1.0506	-0.0609	-0.4043	0.6345	-0.1502	1.969	75.9921	22.8057	22.44
22	0.0132	0.0675	0.088	0.4876	0.1951	1.0709	0.1562	0.6013	-0.4233	-0.2147	-0.0462	0.2474	0.2011	-0.1065	0.3563	1.4351	0.0482	-1.0028	1.3375	-0.4212	1.1554	74.112	28.7253	8.8588
23	4.2194	2.3629	-0.4328	3.139	0.8823	1.2584	0.5344	0.2971	-2.0795	-0.8643	-0.3051	0.3552	0.4802	-0.3337	0.1229	0.7793	0.0538	-0.5039	0.7407	-0.1231	1.3508	73.8088	31.3894	20.9585
24	1.3892	0.0666	0.977	0.1107	-0.2144	2.0034	0.6432	1.8155	0.1804	-0.9204	-0.4413	0.2798	0.6277	-0.0232	-0.3749	0.9406	0.4529	-0.0475	1.4885	0.1853	0.5625	76.1037	49.1272	9.2418
25	7.4511	-0.9146	-0.2677	1.4592	1.1889	3.9386	0.7283	1.3531	0.7366	-0.593	-0.1396	-0.154	0.1585	0.1233	0.2048	0.691	0.3606	-0.0957	1.4026	0.1692	0.4308	77.2946	52.1034	12.6472
26	8.1318	-1.7076	-0.1566	4.0895	1.1421	4.6034	0.2624	1.4112	0.2003	-0.7118	-0.1931	-0.2835	-0.3947	-0.25	-0.14	0.5933	-0.0156	-0.0093	0.6335	-0.0368	0.4422	33.2746	9.1413	24.0947
27	4.6163	0.2936	-1.8336	5.4178	-3.8662	4.3381	-0.0618	-0.1904	0.393	0.5056	0.0936	0.5258	0.1264	-0.5048	-0.0654	0.4803	-0.0011	0.0051	0.3758	-0.1112	0.5677	18.0828	18.0795	47.4491
28	3.51	-0.5632	1.4345	1.7468	1.2887	5.508	-0.4013	-0.0971	-0.0796	0.6917	-0.293	0.5105	0.8741	0.0398	0.6383	0.6973	0.057	0.1035	0.3963	-0.0476	0.6804	35.9362	-14.3191	46.5599
29	3.4817	-0.7618	0.1318	6.247	-2.97	4.4103	-0.1242	-0.0961	0.2671	0.4504	0.3344	-1.2108	-0.0963	0.6134	-0.1348	0.5742	0.0523	-0.1674	0.6665	-0.1451	0.5598	46.7478	10.7241	58.7142
30	4.8046	2.1277	1.2874	5.0709	-1.76	4.8397	0.0433	-0.8048	0.8103	0.1244	0.0575	-0.3607	-0.5379	0.2266	-0.068	0.3704	-0.0286	0.0499	0.4562	0.0177	0.7261	-11.4004	12.3659	39.2973
31	4.5252	0.6306	-0.6629	3.2903	-3.606	7.3142	0.0789	1.5029	-0.4433	-0.9174	-0.2833	-0.9484	0.3272	0.201	-0.0264	0.7762	0.2402	-0.0225	1.0296	-0.2197	0.7157	-9.5178	-10.8128	17.931
32	3.5551	0.8345	-0.3917	6.7612	0.3023	4.1436	-0.3295	-0.0823	-0.0982	-0.9833	-0.2369	-0.5406	-0.2063	1.5663	0.3887	0.6439	-0.1645	0.0851	0.6583	0.1698	0.6649	49.439	62.1449	4.3717
33	3.3973	-1.2044	-0.5363	4.0082	0.09	5.9917	0.3943	-1.2764	0.6875	1.1129	0.0335	0.4238	-0.9314	0.4478	-0.2596	0.8186	-0.1213	0.0936	0.6289	0.033	0.5231	35.5996	57.0584	30.7767
34	2.8816	0.9906	1.447	5.3199	0.3814	4.4143	-0.2394	0.5397	0.9494	-0.0751	0.5336	1.2813	-0.6771	-0.9168	-0.3523	0.7333	0.0493	0.0254	0.7712	0.2764	0.7204	18.4674	61.4657	-1.5284
35	7.4999	0.1915	-0.3326	3.9852	0.1371	1.8934	0.0338	0.3899	-0.6726	-0.7322	-0.3926	-0.4524	0.6656	0.4527	0.2608	0.7606	-0.02	0.1005	0.5171	0.1041	0.5471	25.522	34.8171	10.207
36	6.2234	-1.0247	-0.2625	3.7594	0.991	5.6297	-0.0938	-0.6897	-1.6216	-0.2408	-0.1512	0.5816	0.9139	-0.2299	0.1655	0.5572	-0.0984	-0.245	0.6303	0.0657	0.8057	77.2876	34.3888	33.1862
37	6.6915	3.3354	3.3062	7.9825	3.2808	5.6055	-0.4386	0.677	0.7999	-1.2083	-0.1259	0.0007	-0.4947	0.0546	0.6047	0.6111	0.2569	0.1198	0.7531	0.3296	0.7512	76.7476	63.9596	22.3298
38	2.988	0.3493	-0.1902	3.5591	-0.1064	1.7528	-0.1959	-1.0534	-0.3421	1.0197	-0.0155	-0.5502	0.6855	1.1976	0.1196	1.0041	0.442	-0.1712	0.8551	0.0557	0.5695	51.9588	-17.2021	50.0343
39	2.9317	-2.0853	0.2528	5.0864	-0.2364	2.6338	-0.1865	-0.5115	-0.1816	0.4132	0.1356	0.0921	0.8416	0.9237	0.0963	0.6919	0.263	0.0184	0.5913	-0.0181	0.4255	47.7919	-13.8961	46.4193
40	6.1081	-1.2311	-1.7448	6.5536	0.0558	6.4096	0.254	-0.1426	0.456	-0.3674	-0.0593	-0.6751	-0.4539	0.8342	-0.1171	0.4143	-0.0327	0.0596	0.5467	-0.099	0.4523	52.3908	4.1279	30.0006
41	6.4116	2.9224	0.7557	2.6849	1.1395	4.4095	-0.5713	-0.0891	-0.1006	-0.1353	0.2294	-0.3989	0.2024	0.4253	0.1962	0.5915	0.1357	-0.0717	0.7072	-0.007	0.4505	42.224	-0.5334	67.6399
42	2.589	0.5948	0.8187	8.3679	-0.629	4.5235	-0.3291	-0.6202	-0.4914	0.4447	0.3707	-0.8366	0.3704	0.2056	-0.0203	0.7103	0.2554	-0.1183	0.8108	0.0314	0.5672	45.2894	0.1259	71.0145
43	2.9236	-0.0126	0.265	2.5082	-0.5256	5.7052	-0.2868	-0.9989	0.1569	0.6057	0.2172	-0.4664	-0.1728	0.4842	-0.0986	0.6455	0.1651	-0.1747	0.6967	-0.1312	0.4842	39.9011	6.0005	69.0088
44	7.4424	-2.0841	-1.2941	1.816	-1.2208	4.8287	-0.2884	0.4932	0.0083	0.3485	0.1666	0.1441	-0.5008	0.3963	0.0815	0.6181	-0.1379	0.0297	0.3152	-0.0334	0.4353	32.2378	8.5376	57.8538
45	6.4626	-0.3028	0.0517	4.0283	-0.3647	4.382	-0.232	-0.3973	-0.4093	0.2884	0.1194	0.5649	-0.0398	-0.2736	0.1525	0.5562	0.0119	0.123	0.4301	-0.0744	0.4839	17.1559	4.7708	61.2261
46	6.4733	-1.117	0.433	8.409	-1.5287	6.0063	-0.0177	0.9905	-0.3735	-0.8997	-0.0934	0.642	1.1601	-0.7437	-0.008	0.6779	-0.2042	-0.0053	0.7264	0.0614	0.4899	10.0252	34.6958	10.979
47	2.929	1.0668	-0.1782	6.0941	0.3656	4.3272	0.278	-0.3408	0.5088	0.3365	-0.0959	0.5051	-0.1123	-0.4351	-0.0634	0.4283	0.0201	0.1027	0.5073	0.0512	0.4821	15.8465	53.8609	25.5798
48	6.2385	3.2355	-0.3304	9.5217	3.1617	7.852	0.9613	-1.3843	0.469	2.3693	-0.2398	-0.6696	-0.4166	0.0683	-0.1993	0.9343	-0.1199	0.07	0.6264	-0.1394	0.6221	26.6386	65.1056	38.1317
49	3.32	1.4596	0.7131	5.5878	0.6876	4.8602	0.1272	-0.2527	0.4482	-0.1581	-0.1326	0.2001	-0.1263	-0.356	-0.0866	0.4216	0.0499	0.0981	0.4195	0.0613	0.5252	17.9641	54.6554	24.1474
50	3.7802	-0.5955	-3.0582	4.0244	4.673	6.9642	-0.4816	0.6514	-0.4285	1.3227	-0.1479	-0.3721	1.3464	-0.9172	-0.3738	0.8286	-0.3424	-0.2357	0.8515	0.1275	0.5232	21.5861	44.6872	-8.7968
51	1.8853	1.513	0.3949	1.3755	-0.1048	1.1432	0.0103	0.405	0.1979	-0.268	0.7078	1.0394	0.2949	-0.5235	1.7837	0.7787	-0.4079	-0.6289	1.4723	0.7256	0.9814	12.5417	54.3694	-16.7713
52	5.9046	6.8897	-1.4546	8.4428	-1.5619	6.1764	0.2101	1.1599	1.3561	1.5064	0.3236	2.0801	0.5254	-1.1724	-0.638	0.692	0.0446	0.0439	1.1823	0.364	0.8734	10.6573	55.1764	-6.2179
53	4.243	1.0998	-2.6214	0.8383	-0.2323	7.7321	-0.8976	1.7826	-0.0178	-0.7933	1.3193	0.043	0.7136	-0.4761	-0.4573	0.8605	-0.3819	-0.1089	1.0314	-0.0257	0.5628	21.5232	46.4089	-15.1623
54	0.1449	0.404	-0.3803	2.5822	-0.8215	1.0592	0.0351	0.8398	0.1932	-0.3508	0.5463	0.9531	-0.2394	-0.3966	-0.0594	0.5512	-0.1699	-0.2065	1.0363	0.2706	0.5554	22.2055	54.8708	-12.2551
55	5.5771	-0.2917	-2.665	3.879	0.049	9.1725	0.0869	0.1247	0.7693	0.2118	0.5642	-0.2102	-0.2852	0.198	-0.3997	0.6795	-0.0538	0.0034	0.398	0.0486	0.3196	32.0047	56.1096	-2.8814
56	7.3594	-1.6743	1.7823	5.8153	-2.0215	8.4179	-0.0324	0.7192	-0.1124	-0.8377	-0.3011	-0.7567	0.5619	0.9903	0.2172	0.6519	-0.0817	0.2189	0.6953	0.0388	0.5063	48.0079	49.4482	-10.5724
57	4.4164	0.4887	-2.1243	3.2839	-0.1972	3.06	-0.192	-0.1528	-0.2457	0.23	0.1992	-0.0391	0.0512	0.3336	0.083	0.754	-0.0652	0.0801	0.562	0.0732	0.374	40.0327	48.8267	-4.3871
58	0.921	-0.2495	1.2998	2.7221	-0.9903	4.6835	-0.4473	0.2334	1.2752	0.2018	-0.1301	-0.4357	-1.1721	0.6586	0.2674	0.8086	-0.0465	0.2159	0.5661	0.1567	1.4169	-8.0905	26.8305	32.3348
59	9.1872	-0.5167	4.1519	7.5999	0.8943	2.044	-0.1388	-1.7231	0.8974	0.4031	0.2961	1.0389	-0.3737	-1.3854	-1.0765	0.5526	0.0564	0.1248	0.7253	0.0806	1.1163	-13.1111	23.5286	39.9808
60	2.5334	-1.0173	-0.0544	0.4515	0.2474	0.3428	0.5294	1.1748	1.0597	-0.55	-0.397	-0.5951	-0.5095	0.0394	-0.4096	0.7158	0.2356	0.3674	0.9909	0.3558	0.9534	-7.6785	14.2096	18.9225
61	1.9524	-0.5968	1.7957	0.2632	-0.4118	1.9426	0.7557	0.5858	-0.0744	-0.2387	0.0408	0.3988	-0.2242	-0.4351	0.8823	0.7285	0.3332	0.3365	1.019	0.3157	0.811	-12.9225	3.9349	17.2066
62	3.6379	0.966	-0.4536	5.6842	1.5034	6.8821	0.1986	0.1733	0.9187	-0.3818	-0.0255	0.1456	-1.3425	-0.049	-0.1143	0.6459	0.1805	0.0645	0.5363	0.1223	0.7452	74.1366	73.4164	34.9441
63	4.1249	-0.656	-0.1038	5.2326	-2.0152	4.9076	0.0259	-0.3013	-0.1426	0.0652	0.0408	0.0829	-0.0409	-0.2364	-0.0827	0.2917	0.0305	0.0083	0.5429	0.0022	0.3628	75.9834	49.598	43.8915

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 15 through 44 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 45 through 101 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 102 through 193 )
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 15 through 101 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 102 through 193 )
6	X-RAY DIFFRACTION	6	chain 'C' and (resid 15 through 26 )
7	X-RAY DIFFRACTION	7	chain 'C' and (resid 27 through 63 )
8	X-RAY DIFFRACTION	8	chain 'C' and (resid 64 through 81 )
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 82 through 101 )
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 102 through 179 )
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 180 through 193 )
12	X-RAY DIFFRACTION	12	chain 'D' and (resid 15 through 63 )
13	X-RAY DIFFRACTION	13	chain 'D' and (resid 64 through 81 )
14	X-RAY DIFFRACTION	14	chain 'D' and (resid 82 through 101 )
15	X-RAY DIFFRACTION	15	chain 'D' and (resid 102 through 135 )
16	X-RAY DIFFRACTION	16	chain 'D' and (resid 136 through 154 )
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 155 through 193 )
18	X-RAY DIFFRACTION	18	chain 'E' and (resid 15 through 81 )
19	X-RAY DIFFRACTION	19	chain 'E' and (resid 82 through 193 )
20	X-RAY DIFFRACTION	20	chain 'F' and (resid 15 through 26 )
21	X-RAY DIFFRACTION	21	chain 'F' and (resid 27 through 71 )
22	X-RAY DIFFRACTION	22	chain 'F' and (resid 72 through 81 )
23	X-RAY DIFFRACTION	23	chain 'F' and (resid 82 through 101 )
24	X-RAY DIFFRACTION	24	chain 'F' and (resid 102 through 143 )
25	X-RAY DIFFRACTION	25	chain 'F' and (resid 144 through 193 )
26	X-RAY DIFFRACTION	26	chain 'M' and (resid 2 through 13 )
27	X-RAY DIFFRACTION	27	chain 'N' and (resid 2 through 12 )
28	X-RAY DIFFRACTION	28	chain 'O' and (resid 2 through 12 )
29	X-RAY DIFFRACTION	29	chain 'P' and (resid 2 through 12 )
30	X-RAY DIFFRACTION	30	chain 'Q' and (resid 2 through 12 )
31	X-RAY DIFFRACTION	31	chain 'R' and (resid 2 through 12 )
32	X-RAY DIFFRACTION	32	chain 'S' and (resid 2 through 12 )
33	X-RAY DIFFRACTION	33	chain 'T' and (resid 2 through 12 )
34	X-RAY DIFFRACTION	34	chain 'U' and (resid 2 through 12 )
35	X-RAY DIFFRACTION	35	chain 'V' and (resid 2 through 12 )
36	X-RAY DIFFRACTION	36	chain 'W' and (resid 2 through 12 )
37	X-RAY DIFFRACTION	37	chain 'X' and (resid 2 through 12 )
38	X-RAY DIFFRACTION	38	chain 'G' and (resid 15 through 44 )
39	X-RAY DIFFRACTION	39	chain 'G' and (resid 45 through 112 )
40	X-RAY DIFFRACTION	40	chain 'G' and (resid 113 through 193 )
41	X-RAY DIFFRACTION	41	chain 'H' and (resid 15 through 33 )
42	X-RAY DIFFRACTION	42	chain 'H' and (resid 34 through 81 )
43	X-RAY DIFFRACTION	43	chain 'H' and (resid 82 through 101 )
44	X-RAY DIFFRACTION	44	chain 'H' and (resid 102 through 112 )
45	X-RAY DIFFRACTION	45	chain 'H' and (resid 113 through 193 )
46	X-RAY DIFFRACTION	46	chain 'I' and (resid 15 through 91 )
47	X-RAY DIFFRACTION	47	chain 'I' and (resid 92 through 143 )
48	X-RAY DIFFRACTION	48	chain 'I' and (resid 144 through 154 )
49	X-RAY DIFFRACTION	49	chain 'I' and (resid 155 through 193 )
50	X-RAY DIFFRACTION	50	chain 'J' and (resid 15 through 26 )
51	X-RAY DIFFRACTION	51	chain 'J' and (resid 27 through 44 )
52	X-RAY DIFFRACTION	52	chain 'J' and (resid 45 through 63 )
53	X-RAY DIFFRACTION	53	chain 'J' and (resid 64 through 81 )
54	X-RAY DIFFRACTION	54	chain 'J' and (resid 82 through 101 )
55	X-RAY DIFFRACTION	55	chain 'J' and (resid 102 through 112 )
56	X-RAY DIFFRACTION	56	chain 'J' and (resid 113 through 163 )
57	X-RAY DIFFRACTION	57	chain 'J' and (resid 164 through 193 )
58	X-RAY DIFFRACTION	58	chain 'K' and (resid 16 through 44 )
59	X-RAY DIFFRACTION	59	chain 'K' and (resid 45 through 63 )
60	X-RAY DIFFRACTION	60	chain 'K' and (resid 64 through 171 )
61	X-RAY DIFFRACTION	61	chain 'K' and (resid 172 through 193 )
62	X-RAY DIFFRACTION	62	chain 'L' and (resid 15 through 88 )
63	X-RAY DIFFRACTION	63	chain 'L' and (resid 89 through 193 )

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