PDB-8arp: Crystal structure of DEAD-box protein Dbp2 in complex with ADP

ID or keywords:

Entry

Database: PDB / ID: 8arp

Title

Crystal structure of DEAD-box protein Dbp2 in complex with ADP

Components

ATP-dependent RNA helicase DBP2

Keywords

HYDROLASE / helicase

Function / homology

Function and homology information

nuclear polyadenylation-dependent mRNA catabolic process / SUMOylation of transcription cofactors / G-quadruplex DNA binding / alternative mRNA splicing, via spliceosome / ATP-dependent activity, acting on RNA / nuclear-transcribed mRNA catabolic process, nonsense-mediated decay / termination of RNA polymerase II transcription / snoRNA binding / Estrogen-dependent gene expression / rRNA processing ...
Similarity search - Function

Biological species

Saccharomyces cerevisiae (brewer's yeast)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.05 Å

Authors

Song, Q.X. / Rety, S. / Xi, X.G.

Funding support

1items

Citation

Journal: J.Biol.Chem. / Year: 2023
Title: Nonstructural N- and C-tails of Dbp2 confer the protein full helicase activities.
Authors: Song, Q.X. / Liu, N.N. / Liu, Z.X. / Zhang, Y.Z. / Rety, S. / Hou, X.M. / Xi, X.G.

History

Deposition	Aug 17, 2022	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Mar 22, 2023	Provider: repository / Type: Initial release
Revision 1.1	May 24, 2023	Group: Database references / Category: citation / Item: _citation.journal_volume
Revision 1.2	Feb 7, 2024	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.3	Oct 1, 2025	Group: Advisory / Derived calculations / Structure summary Category: pdbx_entry_details / pdbx_validate_close_contact ...pdbx_entry_details / pdbx_validate_close_contact / struct_conn / struct_conn_type Item: _pdbx_entry_details.has_protein_modification

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8arp.cif.gz	1.3 MB	Display	PDBx/mmCIF format
PDB format	pdb8arp.ent.gz	911.9 KB	Display	PDB format
PDBx/mmJSON format	8arp.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	8arp_validation.pdf.gz	2.5 MB	Display	wwPDB validaton report
Full document	8arp_full_validation.pdf.gz	2.6 MB	Display
Data in XML	8arp_validation.xml.gz	108.3 KB	Display
Data in CIF	8arp_validation.cif.gz	138.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ar/8arp ftp://data.pdbj.org/pub/pdb/validation_reports/ar/8arp	HTTPS FTP

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Related structure data

Related structure data	8arkSC 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	#40 - Apr 2003 RNA Polymerase similarity (1) #67 - Jul 2005 TATA-Binding Protein similarity (1) #255 - Mar 2021 Cisplatin and DNA similarity (1)

Deposited unit

A: ATP-dependent RNA helicase DBP2

B: ATP-dependent RNA helicase DBP2

C: ATP-dependent RNA helicase DBP2

D: ATP-dependent RNA helicase DBP2

E: ATP-dependent RNA helicase DBP2

F: ATP-dependent RNA helicase DBP2

hetero molecules

370 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author

Unit cell

Length a, b, c (Å)	145.939, 168.843, 168.870
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁
Space group name Hall	P2ac2ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x,y+1/2,-z+1/2 #4: -x+1/2,-y,z+1/2

Noncrystallographic symmetry (NCS)

NCS oper:

ID	Code	Matrix	Vector
1	given	(0.442537864414, 0.871554071838, -0.211077564942), (0.0487202603946, -0.258400488357, -0.964808542584), (-0.895425359696, 0.416680558077, -0.156814341609)	12.6536528518, -2.78756477108, 15.9004439654
2	given	(-0.454577702365, -0.87676834361, 0.156959817009), (-0.879812899729, 0.414514255509, -0.232609530007), (0.13888259064, -0.243834377442, -0.959821036649)	-46.8786902571, -22.6218294788, 39.1957687527
3	given	(-0.998750139657, 0.0252397783766, 0.0431406087306), (0.0451280848142, 0.0843477110898, 0.995413943842), (0.0214852157341, 0.996116668479, -0.08538131109)	-35.8468372866, -37.5083322527, 42.5884554273
4	given	(-0.998608892362, 0.0488168337149, 0.0199297978367), (0.0256173152258, 0.118803597408, 0.992587254806), (0.0460872352867, 0.991717007008, -0.119888885034)	-34.9916601046, -36.7805883159, 42.9155918485

#1: Protein	ATP-dependent RNA helicase DBP2 / DEAD box protein 2 / p68-like protein Mass: 61082.387 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast) Strain: ATCC 204508 / S288c / Gene: DBP2, YNL112W, N1945 / Plasmid: pET21a HMT / Production host: Escherichia coli K-12 (bacteria) / Variant (production host): C2566H / References: UniProt: P24783, RNA helicase
#2: Chemical	ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE Mass: 427.201 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₁₀H₁₅N₅O₁₀P₂ / Feature type: SUBJECT OF INVESTIGATION / Comment: ADP, energy-carrying molecule*YM
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: SO₄
#4: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 3 / Source method: isolated from a natural source / Formula: Mg / Feature type: SUBJECT OF INVESTIGATION
Has ligand of interest	Y
Has protein modification	N

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.82 Å³/Da / Density % sol: 56.46 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7 / Details: 2.02 M (NH4)2SO4 100 mM Tris pH 7.0 150 mM Li2SO4

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL17B1 / Wavelength: 0.9793 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Dec 23, 2019
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9793 Å / Relative weight: 1
Reflection	Resolution: 3.046→119.4 Å / Num. obs: 1019758 / % possible obs: 96.2 % / Redundancy: 13.2 % / CC_1/2: 0.998 / R_merge(I) obs: 0.153 / R_pim(I) all: 0.044 / R_rim(I) all: 0.159 / Net I/av σ(I): 15 / Net I/σ(I): 11.2
Reflection shell	Resolution: 3.046→3.099 Å / Redundancy: 13.4 % / R_merge(I) obs: 1.284 / Mean I/σ(I) obs: 2.1 / Num. unique obs: 3975 / CC_1/2: 0.688 / R_pim(I) all: 0.362 / R_rim(I) all: 1.355 / % possible all: 100

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Processing

Software

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

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 8ARK

8ark

Resolution: 3.05→119.4 Å / Cross valid method: FREE R-VALUE / σ(F): 4.92 / Phase error: 29.3155
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2704	3782	4.89 %
R_work	0.2226	73508	-
obs	0.6542	77290	96.2 %

Solvent computation

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

Displacement parameters

B_iso mean: 110.1 Å²

Refinement step

Cycle: LAST / Resolution: 3.05→119.4 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	21089	0	205	0	21294

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0046	21710
X-RAY DIFFRACTION	f_angle_d	0.9978	29435
X-RAY DIFFRACTION	f_chiral_restr	0.0538	3227
X-RAY DIFFRACTION	f_plane_restr	0.0093	3850
X-RAY DIFFRACTION	f_dihedral_angle_d	10.7136	2981

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 (%)
3.05-3.1	0.7223	179	0.7172	3795	X-RAY DIFFRACTION	95.5
3.1-3.15	0.7211	187	0.7198	3742	X-RAY DIFFRACTION	95.24
3.15-3.22	0.7123	234	0.7232	3758	X-RAY DIFFRACTION	94.14
3.22-3.28	0.7471	170	0.7241	3799	X-RAY DIFFRACTION	95.72
3.28-3.35	0.7286	166	0.7227	3775	X-RAY DIFFRACTION	95.79
3.35-3.43	0.7338	179	0.728	3826	X-RAY DIFFRACTION	95.53
3.43-3.52	0.7343	182	0.7324	3819	X-RAY DIFFRACTION	95.45
3.52-3.61	0.7451	241	0.7329	3729	X-RAY DIFFRACTION	93.93
3.61-3.72	0.7489	172	0.7307	3793	X-RAY DIFFRACTION	95.66
3.72-3.83	0.7246	194	0.7207	3591	X-RAY DIFFRACTION	89.31
3.93-3.97	0.7112	65	0.7045	1121	X-RAY DIFFRACTION	28.18
3.97-4.13	0.7032	195	0.7094	3832	X-RAY DIFFRACTION	95.16
4.13-4.32	0.6928	183	0.6986	3796	X-RAY DIFFRACTION	95.4
4.32-4.55	0.6844	230	0.6822	3800	X-RAY DIFFRACTION	94.29
4.55-4.84	0.6666	181	0.6663	3836	X-RAY DIFFRACTION	95.49
4.84-5.21	0.6369	211	0.6353	3798	X-RAY DIFFRACTION	94.74
5.21-5.73	0.5801	224	0.5887	3841	X-RAY DIFFRACTION	94.49
5.73-6.56	0.5589	154	0.5583	3918	X-RAY DIFFRACTION	96.22
6.56-8.27	0.584	212	0.5723	3905	X-RAY DIFFRACTION	94.85
8.27-119.4	0.6163	220	0.5688	4037	X-RAY DIFFRACTION	94.28

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	2.42085880842	0.134047584067	2.48402834651	3.57246476386	-1.66008452617	4.15376265673	0.0893137890221	-0.863153890321	-0.0493119911047	0.0170892815131	0.277891605099	0.282858930634	-0.194994564987	-0.31260302394	-0.460254431927	0.622175250233	0.149176428733	-0.0320496361955	0.968070221449	-0.235724537745	0.542785483918	-46.1513122466	0.88816154573	44.3621861551
2	1.40196573068	0.907482422679	0.641652728093	0.640175859017	0.454036359119	0.322420875883	-0.865378495827	-0.26189807811	1.03080791849	-0.131621024499	0.130467417563	0.914738096828	-0.709343023299	-0.461271128951	0.599693657072	0.840411973081	0.307550316862	-0.493683021639	1.19159319101	-0.173785636316	1.48554947805	-69.1994885691	17.4933999051	22.8110893212
3	0.418703482419	-0.460946207939	0.129167377635	3.20228295433	0.81161749323	1.66550200632	-0.361558347586	-0.205094642799	0.488372014279	0.275618016757	0.136553059722	0.0231738660037	-0.0392451153965	-0.157038747324	0.202258161422	0.422923249521	0.208603473572	-0.0887263740538	0.726693186594	-0.199659611743	0.796423773741	-47.4293801384	3.79528148668	26.3214825828
4	0.498557401762	-0.332795026383	-0.656141244362	3.71716535491	0.0473743126615	1.0302173928	-0.156738567654	-0.662075070486	-0.114137485184	0.777712505878	-0.000370192001129	0.572452262642	0.121208002704	-0.254155386001	0.288686422539	0.570087306999	0.291955198569	0.0293639217203	0.983068468726	-0.0582843619701	0.62465309927	-58.3616371781	-3.37672018716	34.3141402796
5	0.142791639981	0.418882842879	0.544325535479	1.58302844915	0.960672576526	3.43641442277	0.417244640422	0.410755878931	-0.604390515639	-0.220112343105	-0.433176318326	0.228706335139	-0.119360404017	-0.287054891743	-0.0212157998056	0.337010544762	0.144469201616	-0.0515855913451	0.707073080479	-0.194875710915	0.877252217703	-57.3859615322	-19.0794455019	1.94863109307
6	3.50768291255	-0.310588975479	-0.824039455069	2.42098792593	0.345073105089	0.42953727092	-0.332840003474	0.270097179399	-0.0687579074472	0.149895791506	0.400748496526	-0.285071042146	0.37918587039	-0.201194634961	-0.0494607205721	0.269532642094	0.12563167491	-0.037184038053	0.768674518698	-0.108459587786	0.821942996242	-44.4465379133	-15.8570683022	1.4177712865
7	2.75701446692	0.615340350298	-1.03850940432	7.92691455145	1.9888009458	1.70430550796	-0.426020205204	0.0700296915666	0.81552825831	-0.00855107351237	0.104944894855	0.182785828273	-0.0556826262507	0.314989977137	0.469561378664	0.300479794949	0.0889510900716	-0.0372665740785	0.510363895123	0.0123576744695	0.850167193734	-42.2594070107	-5.85018255267	0.3633300633
8	3.46060984594	-0.085807787101	-0.630662292228	3.01580977279	-0.345041862449	3.65138577767	0.228228869452	0.165997170396	0.543924493146	0.181971342586	0.0942316420736	0.280071036043	-0.442345259414	-0.563681998358	-0.0625125041659	0.333019122514	0.000187691761444	-0.0246075851874	0.581764963303	-0.146930411506	0.772148695469	-55.5199674872	-9.96450460944	5.78075704384
9	4.81803767163	0.640329955876	-0.768759546829	2.58836456987	1.16891683184	1.45814966431	0.192437367892	-0.00764665981985	-0.293098313516	-0.242765748478	-0.233976342542	0.95411607475	-0.0371203110869	-0.74837320566	0.0950880785827	0.311780700275	0.00440551794073	0.0177867970971	0.630161242202	-0.192577783584	0.940926532986	-64.6576669906	-19.7506761573	7.51964051934
10	1.73370240219	1.47930087527	1.06709173876	1.68769182418	0.144323470999	2.04103916618	0.523565422276	-0.911552531344	0.458732386954	0.646477682935	-0.79685185268	0.272889769884	0.874260125305	-1.18928607756	0.352988214888	0.862736565745	0.0323199441682	0.0653215872091	1.29796296416	-0.141998354269	0.87126806255	-11.2984451367	-40.5070391886	65.9054206366
11	0.909524685705	0.240449996785	-1.11847624336	1.9765636511	-0.194062723585	1.63613913395	-0.0236939809333	-0.591164850061	0.140825486066	0.0220459930482	-0.190701807651	0.733634828927	-0.132808264415	-0.320546673176	0.195762922438	0.783277273542	0.565094234646	-0.202973467761	2.06742542215	-0.456000531497	1.09855201915	-1.03474985182	-32.3114762653	70.1735720631
12	3.4187948939	-0.0193300880166	1.02580237584	0.893600362557	0.172630729587	1.04816088038	0.114587283983	-0.817712736695	0.5259351782	0.10689701778	-0.0203917232145	-0.192540173545	-0.285874609827	-0.25921462329	0.0410666473849	0.638085295833	0.439664989584	-0.0326409497869	1.21779535323	-0.15862536047	1.08439012347	-8.75960712603	-29.4732477667	57.3727300633
13	2.69107793023	-0.105659558605	-0.908266906387	3.30616227369	1.74853398732	2.78482633653	-0.650982189997	-0.641179729469	-0.118950333216	0.133865872805	0.773163529902	1.16127749782	0.474867659173	0.320699757687	-0.14935980662	0.685737323523	0.214110193659	-0.130331038756	0.912063643762	0.181707715337	1.08360148215	-17.3700268856	-33.1064959311	48.4897295744
14	0.398358106764	0.395127070546	-0.200463980915	0.848175431566	-0.318870548825	1.01856140786	-0.24686375289	-0.869045286109	-0.125098193253	0.45686929152	-0.127216827146	-0.360472847743	-0.109514045102	-0.646243055431	0.210209390102	0.754641698463	0.310209828833	-0.00781989307758	1.42794136879	0.0310930402848	0.994664009985	-26.0007036687	-22.5566529154	61.0795718432
15	1.39838603586	-0.622057804724	0.00607116275844	1.03713033846	0.354947784817	0.334838546649	-0.206071649273	-0.679651381983	0.264936899266	0.393207537103	0.610676018484	-0.381368918466	-0.140386980211	0.0405067486618	0.474871892112	0.593222104534	0.747395430586	-0.28774812739	1.40819785653	-0.71315646813	1.28884868615	-16.4055012544	-2.10500293685	50.6817928011
16	1.03416309739	0.655590930632	-0.748957215357	2.86553191255	-0.934074394952	0.626976762494	-0.404568551302	-1.39238201696	0.132637522176	-0.0443885027222	-0.451150762155	-0.231575023538	-0.268456847254	-0.745152252533	0.698185604041	0.997080596841	0.71630440498	-0.24658099036	1.99973383587	-0.416250084102	0.926613751092	-22.0621467879	-8.08754229651	61.2130470535
17	0.0502354107984	-0.112584320252	0.127949840104	2.15975504936	0.671879591066	2.25357302441	0.115807081748	-0.423911676514	-0.205335396957	0.00532900070622	0.0688345553839	-0.459589821724	-0.0693769153046	-0.0823445742072	-0.249684795275	0.7867383075	0.247462155347	-0.0628266012685	1.23447006243	-0.213633936053	1.21018160521	-35.587927957	-8.27020434377	65.1955287079
18	1.71378276407	0.454857008631	1.2898673908	1.79832776602	-0.310611934932	1.25214319001	-0.362544180047	0.0926753524276	-0.234944262434	0.213650104954	0.266489114338	0.28223626315	-0.0933091280866	-0.178122292716	0.159697864679	0.177624419474	0.0820017450934	-0.0552805880555	0.956207315087	-0.0525890229414	1.37331291274	-43.6900877382	-48.4475979455	2.7098843538
19	1.67029251905	1.45471407908	-1.02240199249	1.5933341373	-0.813775325351	1.73714707211	0.0805358789961	-0.319297523661	-1.86681405286	-0.245530363786	-0.123989405637	-0.480051774876	0.783101773767	-0.137537223301	0.0207553360904	0.600430265531	0.00575660246361	0.0314904546315	0.945599898008	-0.0261195557412	1.80466392862	-31.1329459765	-65.5506652866	-1.53510635004
20	1.13617210609	-0.426928994369	0.918101524192	0.160702897199	-0.345066748933	0.742340376282	0.140012839333	-0.178896228588	-1.01458923177	0.125417370466	0.087652167184	0.419633073935	0.292680134782	0.351506247221	-0.116175335524	0.290526762818	0.0959336854244	-0.00277808026401	0.655549628305	0.210766543864	1.85115592518	-31.2444759975	-61.290307326	4.56705748723
21	4.27690824707	-1.84598375442	-0.156819419605	2.30080120814	0.111865639733	1.37971147655	-0.065553150937	-0.943509634651	-0.735248867108	0.522897521746	0.408666633654	0.24236136262	0.159412094216	-0.00643687078659	-0.203998595763	0.167254077987	0.0301276788278	-0.0682819219244	0.779370200162	0.168048663859	1.14370802723	-33.1489804223	-43.2282934678	9.88467273214
22	1.46304145374	-0.713720809877	-0.382609900671	0.422054072587	0.292982555912	0.250483732741	0.0267806675564	-0.239551113974	-0.634002176333	0.484225142629	-0.171211985183	-0.166557691081	0.224574161937	0.0133128780063	0.215146283715	0.540708375919	-0.199562228374	-0.0223705441633	1.06088358607	0.416310746033	1.91025226719	-36.7791747008	-63.8274596453	17.3998228573
23	1.12009023423	0.343304566207	0.981447168385	1.18958207165	1.34548326876	2.22950145767	0.449483937712	-1.13390530715	-0.128010232813	0.384927131929	0.266200491499	-0.00864217695425	0.195118249346	-1.27876700621	-0.70735168783	0.449517339789	0.0808144858887	-0.0834011008819	1.31315969597	0.429081028638	1.3117764212	-8.80110305354	-53.401474328	29.0858516649
24	1.29396313687	0.125156287422	0.112958004802	0.397506716775	-0.331092996264	1.60884569452	0.380616299752	-1.00243412089	-0.593360720194	0.227852225421	0.318346999881	0.26313212264	0.357758191459	-0.704383322799	-0.160346846455	0.227096605326	-0.0434427939783	-0.0950685187986	1.1507762071	0.601084209993	1.2815912878	-10.5546820449	-57.9982789664	20.0286087591
25	0.798122396187	0.325048477056	-0.295878086442	1.88934391106	-0.124976557749	1.74149754608	-0.741209472079	-0.288173107202	0.210686686807	0.262051897797	0.467198379535	0.187984320181	0.344663603269	0.180006918332	0.173307620328	0.719035465636	-0.366154156491	0.0410417937006	2.00940463047	0.472253718482	1.36363605312	-21.2342102413	-67.2313549894	33.800709516
26	1.79889467231	0.26372686776	0.973169796763	0.405855248229	-0.567784812871	1.83791092184	-0.215421370922	0.0478999432605	0.416929881734	-0.40886764827	0.097300345225	-0.896930311439	-0.82552944796	0.636985718823	0.107738621654	1.00512402528	-0.313296021255	0.2699369657	0.753662352885	-0.221568968232	1.50969712331	-28.0670007404	25.6839021577	2.58392010194
27	1.97303874521	-0.847710848187	0.708280849329	0.525621027065	-0.575799266962	2.25533942095	0.221068423812	0.131364804777	0.798173597052	0.354480365524	-0.136830753044	-0.167645321119	-0.694680309143	0.484213104911	-0.00167420725867	0.657318862438	-0.161240590008	0.107364890374	0.590954537231	-0.117019786847	1.30580018146	-21.0899086666	10.9957934058	6.60864960651
28	0.0254956851087	0.1036011284	0.00658156945104	0.66262559631	0.0606052748555	0.00528529950979	-0.139740101437	-0.0717873268738	0.705962970531	-0.531255089611	0.532205282152	-0.601194014433	0.0246930979068	0.307560940767	-0.202410188199	0.699632918257	-0.19425915666	0.245910627607	1.2620076956	-0.29400661364	1.46861653203	-7.40942100645	24.7813749743	16.0232289009
29	0.688801001053	-0.0646450755227	-0.0313342506323	0.862814279899	-0.199048724313	1.77834514918	-0.380973301753	0.28403488219	0.011899907477	0.048698317551	0.033641643267	-0.800558802282	-0.498672151063	0.280314201314	0.484394828986	0.488582243177	-0.131211164214	-0.358812358647	1.01307342171	-0.647186219562	1.91323964385	-10.278178715	17.2514859502	33.0512317768
30	2.34392727308	-0.581693138901	2.19392544786	0.863019519846	0.37183770513	6.45736658428	-0.205843345956	-0.470370967571	1.55869191947	0.373760988274	-0.583484824558	-0.505494141914	-0.0162736723705	-0.0427396156376	0.779335875468	1.11329480888	0.101540067478	-0.492233072157	1.04847834065	-0.600245553156	1.68120352544	11.3180044254	4.22693696822	39.5000284929
31	1.78844219732	0.984050269357	-1.18735491165	1.50669074805	-1.62239976187	1.79835921986	-0.464636868846	-1.17574434518	-0.197648578371	0.454265375731	-0.424556874886	-0.73047741234	-0.361736332454	0.432900094194	-0.0138432136638	0.488988553103	0.403990238773	-0.441729185854	1.49697083211	-0.731751721993	1.49578296483	21.830544297	-15.1304319929	53.6289836114
32	0.886202451068	-0.0402892039559	0.958078049523	0.333919684601	-0.125190885038	6.08486158604	0.293718253193	-0.343500552092	0.13915271062	0.421014500484	0.354326962794	-0.107875714337	-0.146223851687	-0.548825906747	-0.434182601063	0.803835911101	0.321248783457	-0.41581652568	0.860878992523	-0.525213150309	1.46066115962	6.1324601534	-17.2624290954	39.7667858407
33	2.9600085872	-1.33821927701	1.01084514969	1.75122924636	-1.31614189291	0.980974321008	-0.221701341166	-0.950395240495	0.209420379857	-0.138750164099	0.29554762271	-0.409999899654	-0.506138450904	-0.154774869007	-0.0957075358922	0.665184580752	0.104294265886	-0.302422753851	0.813262064394	-0.498908465582	1.45155659234	8.2796906457	-9.44792395682	34.3055996079
34	0.125632333718	0.263072924401	-0.4453213003	1.92006677173	-0.0365418994554	2.06931883812	-0.30769502259	-0.66646300689	1.06234768783	-0.0309181676471	0.0496013175956	-0.479377583523	-0.152399652397	0.614831084436	0.0457793419599	0.677980777001	0.0248988612605	-0.324503067814	1.12172922418	-0.530431238966	1.6515249981	25.0805031804	-11.483229174	35.803971102
35	3.42059217729	-0.0584979137204	-0.505454414418	1.65822161804	-0.540321578092	3.64235240913	-0.41927129362	-0.448869595119	0.0445586614295	0.131505409268	0.478326778109	-0.0271044426305	0.0525869778355	-0.257736697516	-0.208658673547	0.301689850796	0.239365840485	-0.156563196374	0.681077467199	-0.1369623536	0.971676121639	12.283536735	-39.2890980947	28.6825233623
36	4.33097388166	-1.41306455384	1.32852917496	0.643520310108	-0.080831322211	2.80481508292	-0.029138719098	-0.385652936507	0.296095637628	-0.0380060759556	-0.0618933835685	-0.243033624936	-0.427770211804	0.935791903342	0.119769435096	0.253605435552	-0.129560493514	0.0263915938603	0.916973220327	-0.45011536115	1.19995783332	28.4748303026	-33.932253406	21.2960573273
37	2.11527869504	-0.495671651964	0.846322511738	2.01757423042	0.721113421031	3.63988620515	0.244313597787	0.430396599312	-0.00527003137604	-0.0910950966247	-0.0279944279373	-0.108169864415	0.246414241678	0.610014516277	-0.0864435538621	0.274184487857	0.161104373059	0.0294768511556	0.567803442481	-0.160390961969	1.25724289945	7.0429124026	-42.0545976648	-8.49599272758
38	3.46821054251	-1.2337047793	1.44623801055	3.68115487908	0.67828441274	2.11040337831	0.0578482458816	0.788112356744	0.40634830139	-1.23664366849	-0.15802509723	0.3098493981	-0.162570765065	-0.531731513401	-0.0456010607674	0.83440938174	0.149656406867	-0.194728846777	0.620819721854	-0.041192397385	0.738477007937	-7.82100844749	-46.6402829664	-22.7932408729
39	1.99234555188	-0.551756389993	0.297863294492	2.40929616868	-0.0248084794119	2.82615224709	0.124550327974	0.406502738713	0.361073436062	-0.256104384634	-0.140358593783	-0.161719945655	-0.283063471832	0.106036277979	0.000687350315858	0.253437555774	0.0847043439821	0.0312941967714	0.619752853102	-0.0345009494428	0.98408657415	-3.88931513155	-33.7547137738	-5.22913855713
40	1.24253271946	0.118709337141	-0.537828122666	0.286583514801	-0.628909971997	2.103650116	0.432987168628	0.530477237598	0.235343264609	-0.337470844822	-0.291910588517	-0.654444920731	-0.51668483539	-0.135054592761	-0.193505674172	0.592504461167	0.167786894901	0.272279887631	0.691949952917	0.163585020418	1.00593339128	-23.1331722374	-20.0094267347	-16.5653051094
41	4.51334590681	-0.697490116869	-2.48919102901	3.45246418984	-2.54198283838	5.28097862965	0.0520904019498	0.371829065887	-1.04246992314	0.241370959413	-0.741025825957	-1.14704588992	-0.115495115768	0.665127519909	0.575080319651	0.696801451272	0.170513199943	0.220006971572	0.918360934708	0.342151593001	1.14687638372	-17.4585145334	-11.7600481765	-29.120795841

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid 53 through 79 )	A	A	53 - 79	1 - 27
2	2	chain 'A' and (resid 80 through 104 )	A	A	80 - 104	28 - 52
3	3	chain 'A' and (resid 105 through 277 )	A	A	105 - 277	53 - 225
4	4	chain 'A' and (resid 278 through 320 )	A	A	278 - 320	226 - 268
5	5	chain 'A' and (resid 321 through 357 )	A	A	321 - 357	269 - 305
6	6	chain 'A' and (resid 358 through 383 )	A	A	358 - 383	306 - 331
7	7	chain 'A' and (resid 384 through 416 )	A	A	384 - 416	332 - 364
8	8	chain 'A' and (resid 417 through 450 )	A	A	417 - 450	365 - 398
9	9	chain 'A' and (resid 451 through 495 )	A	A	451 - 495	399 - 443
10	10	chain 'B' and (resid 53 through 104 )	B	C	53 - 104	1 - 52
11	11	chain 'B' and (resid 105 through 128 )	B	C	105 - 128	53 - 76
12	12	chain 'B' and (resid 129 through 228 )	B	C	129 - 228	77 - 176
13	13	chain 'B' and (resid 229 through 277 )	B	C	229 - 277	177 - 225
14	14	chain 'B' and (resid 278 through 356 )	B	C	278 - 356	226 - 304
15	15	chain 'B' and (resid 357 through 416 )	B	C	357 - 416	305 - 364
16	16	chain 'B' and (resid 417 through 450 )	B	C	417 - 450	365 - 398
17	17	chain 'B' and (resid 451 through 496 )	B	C	451 - 496	399 - 444
18	18	chain 'C' and (resid 52 through 90 )	C	E	52 - 90	1 - 39
19	19	chain 'C' and (resid 91 through 131 )	C	E	91 - 131	40 - 80
20	20	chain 'C' and (resid 132 through 164 )	C	E	132 - 164	81 - 113
21	21	chain 'C' and (resid 165 through 298 )	C	E	165 - 298	114 - 247
22	22	chain 'C' and (resid 299 through 330 )	C	E	299 - 330	248 - 279
23	23	chain 'C' and (resid 331 through 397 )	C	E	331 - 397	280 - 346
24	24	chain 'C' and (resid 398 through 450 )	C	E	398 - 450	347 - 399
25	25	chain 'C' and (resid 451 through 496 )	C	E	451 - 496	400 - 445
26	26	chain 'D' and (resid 53 through 148 )	D	G	53 - 148	1 - 96
27	27	chain 'D' and (resid 149 through 302 )	D	G	149 - 302	97 - 250
28	28	chain 'D' and (resid 303 through 343 )	D	G	303 - 343	251 - 291
29	29	chain 'D' and (resid 344 through 496 )	D	G	344 - 496	292 - 444
30	30	chain 'E' and (resid 53 through 79 )	E	I	53 - 79	1 - 27
31	31	chain 'E' and (resid 80 through 188 )	E	I	80 - 188	28 - 136
32	32	chain 'E' and (resid 189 through 228 )	E	I	189 - 228	137 - 176
33	33	chain 'E' and (resid 229 through 277 )	E	I	229 - 277	177 - 225
34	34	chain 'E' and (resid 278 through 332 )	E	I	278 - 332	226 - 280
35	35	chain 'E' and (resid 333 through 450 )	E	I	333 - 450	281 - 398
36	36	chain 'E' and (resid 451 through 496 )	E	I	451 - 496	399 - 444
37	37	chain 'F' and (resid 54 through 90 )	F	K	54 - 90	1 - 37
38	38	chain 'F' and (resid 91 through 137 )	F	K	91 - 137	38 - 84
39	39	chain 'F' and (resid 138 through 302 )	F	K	138 - 302	85 - 249
40	40	chain 'F' and (resid 303 through 450 )	F	K	303 - 450	250 - 397
41	41	chain 'F' and (resid 451 through 496 )	F	K	451 - 496	398 - 443

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