PDB-8dzk: Dbr1 in complex with 5-mer cleavage product

ID or keywords:

Entry

Database: PDB / ID: 8dzk

Title

Dbr1 in complex with 5-mer cleavage product

Components

RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3')
RNA lariat debranching enzyme, putative

Keywords

HYDROLASE/RNA / METALLOENZYME / COMPLEX / BRANCHED RNA / HYDROLASE-RNA COMPLEX / RNA BINDING PROTEIN

Function / homology

Function and homology information

RNA lariat debranching enzyme activity / Hydrolases; Acting on ester bonds; Phosphoric-diester hydrolases / RNA splicing, via transesterification reactions / mRNA splicing, via spliceosome / manganese ion binding / iron ion binding / perinuclear region of cytoplasm / RNA binding / zinc ion binding / nucleus
Similarity search - Function

Biological species

Entamoeba histolytica (eukaryote)
synthetic construct (others)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

FOURIER SYNTHESIS / Resolution: 2.1 Å

Authors

Clark, N.E. / Taylor, A.B.

Funding support

United States, 2items

Organization	Grant number	Country
National Institutes of Health/National Cancer Institute (NIH/NCI)	CA054174	United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	GM124165	United States

Citation

Journal: Biochemistry / Year: 2022
Title: Crystal Structure of the RNA Lariat Debranching Enzyme Dbr1 with Hydrolyzed Phosphorothioate RNA Product.
Authors: Clark, N.E. / Katolik, A. / Welch, A. / Schorl, C. / Holloway, S.P. / Schuermann, J.P. / Hart, P.J. / Taylor, A.B. / Damha, M.J. / Fairbrother, W.G.

History

Deposition	Aug 8, 2022	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 24, 2022	Provider: repository / Type: Initial release
Revision 1.1	Apr 5, 2023	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2	Oct 25, 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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Download

PDBx/mmCIF format	8dzk.cif.gz	851.6 KB	Display	PDBx/mmCIF format
PDB format	pdb8dzk.ent.gz	626.5 KB	Display	PDB format
PDBx/mmJSON format	8dzk.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	8dzk_validation.pdf.gz	4.5 MB	Display	wwPDB validaton report
Full document	8dzk_full_validation.pdf.gz	4.6 MB	Display
Data in XML	8dzk_validation.xml.gz	67.2 KB	Display
Data in CIF	8dzk_validation.cif.gz	96 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/dz/8dzk ftp://data.pdbj.org/pub/pdb/validation_reports/dz/8dzk	HTTPS FTP

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Related structure data

Related structure data	5k73S S: Starting model for refinement
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	#225 - Sep 2018 Phytase similarity (3) #111 - Mar 2009 Hydrogenase similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #244 - Apr 2020 Photosynthetic Supercomplexes similarity (1) #147 - Mar 2012 Rhodopsin similarity (1) #61 - Jan 2005 Phenylalanine Hydroxylase similarity (1)

Deposited unit

A: RNA lariat debranching enzyme, putative

B: RNA lariat debranching enzyme, putative

C: RNA lariat debranching enzyme, putative

D: RNA lariat debranching enzyme, putative

E: RNA lariat debranching enzyme, putative

F: RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3')

G: RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3')

N: RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3')

O: RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3')

P: RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3')

hetero molecules

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

1

A: RNA lariat debranching enzyme, putative

F: RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3')

hetero molecules

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

2

B: RNA lariat debranching enzyme, putative

G: RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3')

hetero molecules

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

3

C: RNA lariat debranching enzyme, putative

N: RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3')

hetero molecules

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

4

D: RNA lariat debranching enzyme, putative

O: RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3')

hetero molecules

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

5

E: RNA lariat debranching enzyme, putative

P: RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3')

hetero molecules

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

Unit cell

Length a, b, c (Å)	73.272, 143.341, 214.006
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

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Protein / RNA chain , 2 types, 10 molecules ABCDEFGNOP

#1: Protein	RNA lariat debranching enzyme, putative Mass: 41213.266 Da / Num. of mol.: 5 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Entamoeba histolytica (eukaryote) / Gene: EHI_062730 / Production host: Escherichia coli (E. coli) / References: UniProt: C4M1P9
#2: RNA chain	RNA (5'-R(P(G46)PUPGPUPU)-3') Mass: 1580.017 Da / Num. of mol.: 5 / Source method: obtained synthetically / Source*: (synth.) synthetic construct (others)

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Non-polymers , 4 types, 528 molecules

#3: Chemical	ChemComp-FE2 / FE (II) ION Mass: 55.845 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Fe / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Zn / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: SO₄
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 511 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.73 Å³/Da / Density % sol: 54.89 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion / pH: 5.5 / Details: 15% PEG3350, 0.4 M LiSO4, 0.1 M bis-tris pH 5.5

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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: 1 Å
Detector	Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Oct 11, 2013
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.1→50.12 Å / Num. obs: 130333 / % possible obs: 99 % / Redundancy: 1.9 % / B_iso Wilson estimate: 47.66 Å² / CC_1/2: 0.998 / R_merge(I) obs: 0.02418 / R_rim(I) all: 0.0342 / Net I/σ(I): 20.91
Reflection shell	Resolution: 2.1→2.175 Å / R_merge(I) obs: 0.368 / Mean I/σ(I) obs: 2.11 / Num. unique obs: 12870 / CC_1/2: 0.735 / R_rim(I) all: 0.5205

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Processing

Software

Name	Version	Classification
PHENIX	1.20_4459	refinement
Aimless		data scaling
XDS		data reduction

Refinement

Method to determine structure:

FOURIER SYNTHESIS
Starting model: 5k73

5k73

Resolution: 2.1→50.12 Å / SU ML: 0.2369 / Cross valid method: FREE R-VALUE / σ(F): 2.76 / Phase error: 22.2012
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2092	12181	5 %
R_work	0.1778	231450	-
obs	0.1794	130323	95.86 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 57.8 Å²

Refinement step

Cycle: LAST / Resolution: 2.1→50.12 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	14285	0	394	511	15190

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	15104
X-RAY DIFFRACTION	f_angle_d	0.9985	20485
X-RAY DIFFRACTION	f_chiral_restr	0.058	2172
X-RAY DIFFRACTION	f_plane_restr	0.0075	2510
X-RAY DIFFRACTION	f_dihedral_angle_d	17.2497	5636

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 (%)
2.1-2.12	0.3066	379	0.2944	7670	X-RAY DIFFRACTION	96.02
2.12-2.15	0.3155	430	0.2921	7775	X-RAY DIFFRACTION	95.75
2.15-2.17	0.3237	395	0.281	7529	X-RAY DIFFRACTION	93.7
2.17-2.2	0.268	371	0.2603	7533	X-RAY DIFFRACTION	93.35
2.2-2.23	0.2791	394	0.2573	7959	X-RAY DIFFRACTION	98.71
2.23-2.26	0.2738	469	0.2639	7888	X-RAY DIFFRACTION	98.86
2.26-2.29	0.3015	378	0.2619	8064	X-RAY DIFFRACTION	99.13
2.29-2.33	0.2888	449	0.2492	7892	X-RAY DIFFRACTION	99.23
2.33-2.36	0.2405	445	0.2288	8014	X-RAY DIFFRACTION	99.26
2.36-2.4	0.233	419	0.2188	7943	X-RAY DIFFRACTION	99.05
2.4-2.45	0.265	412	0.2154	7995	X-RAY DIFFRACTION	98.86
2.45-2.49	0.2575	457	0.2203	7839	X-RAY DIFFRACTION	98.52
2.49-2.54	0.2562	397	0.2105	7956	X-RAY DIFFRACTION	98.17
2.54-2.59	0.2188	398	0.1978	7894	X-RAY DIFFRACTION	98.35
2.59-2.65	0.2319	443	0.1979	7828	X-RAY DIFFRACTION	97.16
2.65-2.71	0.2376	369	0.2097	7800	X-RAY DIFFRACTION	96.11
2.71-2.77	0.27	380	0.2221	7585	X-RAY DIFFRACTION	94.58
2.77-2.85	0.2644	428	0.2175	7253	X-RAY DIFFRACTION	90.49
2.85-2.93	0.2617	434	0.2048	7847	X-RAY DIFFRACTION	97.15
2.93-3.03	0.2413	411	0.1998	7827	X-RAY DIFFRACTION	97.77
3.03-3.14	0.2489	396	0.2003	7826	X-RAY DIFFRACTION	97.16
3.14-3.26	0.2444	405	0.1945	7777	X-RAY DIFFRACTION	96.45
3.26-3.41	0.212	374	0.177	7759	X-RAY DIFFRACTION	96.07
3.41-3.59	0.1938	400	0.1701	7630	X-RAY DIFFRACTION	94.72
3.59-3.82	0.1785	383	0.1615	7519	X-RAY DIFFRACTION	93.44
3.82-4.11	0.1936	408	0.1433	7097	X-RAY DIFFRACTION	88.01
4.11-4.52	0.1399	411	0.126	7347	X-RAY DIFFRACTION	91.88
4.52-5.18	0.1644	406	0.1308	7541	X-RAY DIFFRACTION	93.8
5.18-6.52	0.1826	347	0.1614	7603	X-RAY DIFFRACTION	93.91
6.52-50.12	0.1826	393	0.1559	7260	X-RAY DIFFRACTION	90.35

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	6.07549081649	1.32605369769	-1.8432686797	2.9908415643	-1.22180251495	5.86463556736	0.272460321392	-0.820844571432	0.455000382107	0.571932410068	-0.144789547284	-0.210407329715	-0.604676335306	0.181558825692	-0.13066968483	0.568475398718	0.0229692705281	-0.0792372015725	0.645753189282	-0.153592796115	0.489976482027	6.203	-30.757	-9.223
2	3.02066357251	0.677779761373	-0.65522116015	2.22078108407	-1.17819215333	2.28899134964	0.0126313837864	-0.134615181806	0.222492958602	0.109645183552	0.0524089075115	-0.161879027568	-0.168224497564	0.100820655695	-0.0627755043167	0.348479649064	0.0323722419613	-0.0347113735628	0.424845905887	-0.0572440629928	0.420798023908	8.885	-35.578	-22.678
3	4.20453733784	-0.12206392177	-0.808466890992	2.17071013677	0.0728023709971	1.88200364118	0.0453392406533	0.0356270584291	0.252795976332	-0.185538097208	0.0660030552498	0.248195139439	-0.166258163981	-0.2447101889	-0.109485627302	0.348858791071	0.015145689277	-0.0666163873941	0.459963223433	0.004195890753	0.430564385939	-6.681	-34.381	-29.109
4	3.54790489286	-0.454319751064	-0.261305430868	5.32976058956	0.176912567783	4.12574594836	0.0463913470754	-0.275491847	0.420616694875	0.329934079253	0.221586402692	0.419381228951	-0.355381837684	-0.448585633038	-0.209364597304	0.360414665885	0.0765373136868	0.0107593754571	0.533072355986	-0.00684551995555	0.49159713662	-10.707	-30.007	-20.836
5	1.99855134786	-0.317006988545	-0.10174260442	4.55246110713	3.13491046313	5.48693398851	-0.0241575267185	-0.289844612465	-0.261332736939	0.306235545043	0.0100887074231	0.215285285613	0.261076700557	-0.14078407085	0.0273860291627	0.332998302554	-0.0378843171196	-0.00858882376156	0.511373872064	0.0237796659079	0.519238301353	-1.093	-46.896	-18.714
6	3.47323934476	-0.353382644915	0.281480326384	4.43645689829	-0.363026931317	2.44298211084	0.0364175369982	-0.0398771216908	-0.725101774736	-0.253179513186	0.188621158031	0.0432284765267	0.214270140932	-0.233514402041	-0.188556411527	0.376832962325	-0.0379044927673	-0.0378565269621	0.409359270695	-0.0647424861915	0.607600579524	1.3	-55.648	-30.294
7	3.3572543498	-0.919299495656	0.197525053308	6.20952660299	0.463330659587	1.32669934718	0.0779871091956	0.21211136915	-0.105832832233	-0.160233848204	0.0533114620777	-0.334730747466	0.0871320763319	-0.00281679817484	-0.15580690839	0.333902252768	-0.0419295396065	0.0296800171375	0.452108859662	-0.026464313256	0.325607826526	4.228	-43.459	-32.627
8	5.89507691659	-1.14952973155	-1.36316763389	2.85610753456	0.231375991797	2.66353739342	0.245081876658	0.53286873089	0.325157880725	-0.554340405866	-0.131237183721	0.0410389716887	-0.21431439089	-0.0198193148946	-0.169129221804	0.519792195567	0.0151128096626	0.0301770960849	0.41422188887	0.0896166627439	0.388700001154	36.991	-62.019	-32.15
9	4.01853877192	-1.02246835524	-0.13004885101	6.41032776728	2.96506744804	7.51102965247	-0.0165333723649	0.168790233598	0.827859225309	-0.268233555164	-0.21029487086	0.438742575785	-0.225749414313	-0.104883037895	0.248054183352	0.322626868503	0.0399339345407	-0.0480246809776	0.401361990658	0.0168446152863	0.558872721747	21.516	-55.853	-23.442
10	2.84957178751	0.624396342272	0.605451737868	2.97633908203	0.188739185144	2.40282225024	0.202531382065	-0.253975906249	0.0822998713805	0.16099568799	-0.153174623806	0.0695494394765	0.0366011221743	-0.0899477366468	-0.0465185699493	0.349378584207	-0.0619786892641	-0.0232126367823	0.37821360643	0.0603332736959	0.324374910433	32.117	-69.217	-17.221
11	5.78740622704	1.99462490332	-0.390030139774	2.83038338085	-0.507622171479	3.63699317107	0.333799475736	-0.569462403673	0.647038957439	0.385035058058	-0.260801387401	-0.100492875573	-0.473500520022	0.0312364349431	-0.0668094105581	0.448511385223	-0.0659221251315	-0.0738678795947	0.47272030834	0.0189551327854	0.482510863215	48.29	-59.364	-11.64
12	9.23757635429	0.401304405403	0.82380268344	5.56699903736	1.06375580725	6.10171149927	-0.00486830421815	0.469541057662	0.260521300434	0.0402698796746	-0.0355480954709	-0.0114928884066	-0.872671514121	0.718291009867	0.10187018662	0.47550295344	-0.111759262928	0.0326756754532	0.503943781576	0.0961646634483	0.486947440679	46.387	-58.078	-20.495
13	2.43309900441	1.00265707759	-0.406398535503	3.18067031552	-0.313355252332	1.44761383551	0.2736850366	-0.213586775121	-0.336933815822	0.0460147243809	-0.132866979727	-0.0379337928691	0.337507041307	0.048273040463	-0.132689801519	0.476708021369	-0.0414620868461	-0.141011615568	0.460325083586	0.0761894002928	0.431338199128	32.791	-83.012	-18.126
14	4.43510227321	2.78331036191	0.647396177415	2.41288131028	-0.75821075128	2.65773584506	0.20039479337	-0.320849110869	0.126125042169	0.153936969059	-0.0191055441387	0.480781991937	0.110647792888	-0.297119123338	-0.195247137103	0.365663728142	-0.0389046900051	-0.0287004379901	0.476187832403	0.0456492614528	0.361618864401	25.993	-74.804	-15.64
15	4.26998626108	0.428966099155	-2.53157944236	3.13190163713	0.19312001483	4.58416437883	-0.243397824698	-0.121395317221	-0.424244052164	0.261864896661	0.11765075849	-0.499494295904	0.579670309323	0.367710776503	0.137043641183	0.553053054652	0.0611336468736	-0.120855446422	0.366385889807	0.00589660283869	0.51241389944	66.025	-96.808	12.683
16	3.82330169879	1.6434049846	-0.787622935834	4.15895416589	-0.761558763552	2.65960856684	-0.0569860088472	-0.055689489384	-0.0010080150502	0.616172923647	-0.16850550423	-0.0512643088307	0.647306888931	0.268352998689	0.17653151881	0.871905463164	0.0380616682009	-0.0939304846036	0.467040270076	0.0606462974178	0.443739513473	52.082	-101.827	24.046
17	1.88790167698	0.120002345658	-0.306601859807	2.58391294344	0.694299522387	1.90065513431	-0.13543249084	0.0706511455929	-0.0101099772996	0.122243044139	0.0493830445412	0.13010798407	0.0985628717055	-0.149508740179	0.0778413330536	0.473738644155	-0.00380093181715	-0.113675503765	0.299063598246	0.025281731136	0.396709442394	50.184	-88.581	11.829
18	4.72727462576	0.408752422227	-0.474380860365	5.97522371556	2.62752928496	5.8048038251	-0.286550413931	0.434460120279	-0.793745152305	-0.147680459158	0.0208969875834	0.0614769452144	0.740481741995	-0.371178897533	0.260705515645	0.592548174467	-0.0574908951006	-0.0277117407255	0.417016340402	-0.0410762063161	0.491896411166	51.381	-103.953	-4.669
19	5.37787764552	-0.481625648502	-0.739335640777	2.90667624927	1.19356934222	3.6632667118	-0.0101739373538	0.360275799331	-0.376270887084	-0.212781700498	-0.0358275495761	-0.102050415642	0.273454384068	0.10656957621	0.039566639228	0.481958540722	-0.0345740457614	-0.085949558753	0.314296211008	-0.0154784316868	0.356746938109	55.941	-96.595	-1.336
20	2.38499995436	-1.87366628114	-1.12182260173	3.18931744053	1.16452153036	2.04324119391	-0.0738431278716	0.136490355327	0.237133440403	-0.214308888283	-0.0167581733545	0.0960495425535	-0.124061848227	-0.158158377739	0.051296949902	0.463445562032	-0.0242187572364	-0.157883343798	0.308850713921	0.00571325810958	0.380804416981	50.329	-77.982	7.796
21	1.91260638665	-0.452417985121	0.407672778871	6.12925610051	0.882904614177	3.04101844463	-0.150274623242	-0.023353073918	0.15186480101	0.301444177952	-0.0556485703784	-0.021061949589	-0.102122776153	-0.10287440395	0.192532800566	0.445945902988	-0.0313315445241	-0.120531298267	0.392685176986	0.0224729419834	0.359160059258	50.102	-78.961	15.346
22	3.95779150867	0.421215122081	-1.36623863433	4.97077339762	-1.83966230443	6.46930902286	0.224644100378	-0.790542151458	0.633766310104	0.380766118658	-0.0469793240538	-0.759008813937	-0.986904969211	1.35679554873	-0.0935614392964	0.600199771207	-0.247325996571	0.0734195493638	0.904724071215	-0.263766010869	0.678208323168	54.44	-75.084	-57.476
23	1.24477711655	0.105495190295	-0.260512392309	2.80892287008	0.668226889257	0.249124171753	0.101195383537	-0.66675906431	0.297907553116	0.321993843685	0.0519048558512	-0.154672699309	-0.782141949665	0.759538534588	-0.153949615776	0.437752465323	-0.186851879542	0.0627005206182	0.853800175904	-0.11631989322	0.495168054142	52.945	-77.71	-61.764
24	1.57522098578	-0.230043695729	-0.858315980313	2.35744167635	-0.835186598912	4.57778395495	0.161000027631	-0.258006584623	0.163597851051	-0.0303536467907	0.101557364793	-0.222176811017	-0.516950454617	0.514533267538	-0.208835760732	0.364967175424	-0.101640372196	0.081198127434	0.456073253582	-0.0852813176904	0.432799707733	48.85	-79.265	-70.547
25	1.96309312025	0.197456530122	-1.39095010363	2.23957706307	0.0842629419345	4.05859380605	0.214499122468	0.00860766943206	0.213321003304	0.0192409413141	0.128874120404	0.388918769961	-0.330377027271	-0.320639479328	-0.300126761755	0.335389259123	-0.0246407427665	0.0925133314177	0.478898234119	0.000105216192328	0.51243652582	33.38	-81.898	-69.145
26	2.51602869224	0.764813928342	1.38402304874	5.68356479297	4.55894337062	4.13530452081	0.0571557241503	0.00496720885932	0.560382558768	-0.175926978776	0.0299328871125	0.449656424862	-1.67094551692	-0.292564846253	-0.0379525416215	1.02159162277	-0.0191469910437	0.302605854349	0.629257391125	0.00724552767474	0.816560737185	30.588	-65.13	-52.995
27	3.2452241175	-1.45155750679	-0.0809766785042	3.26826244942	0.247496316577	5.94524978026	0.17079669781	-0.577096552401	0.268722555012	0.409956252867	0.18915128425	-0.0433839798442	-0.654193911462	0.119892217919	-0.3650924057	0.529366853638	-0.0698705513392	0.180448228976	0.573575787194	-0.0873878381347	0.503427006183	36.429	-76.765	-54.95
28	4.41839221916	2.21454954265	1.37504809946	4.45419190391	3.74403777378	6.60654532106	0.0571776305071	-0.598985667964	-0.244524523606	0.396890549257	0.065411970598	-0.104341006301	0.231045094526	0.354767989432	-0.107350460963	0.346490700406	-0.000636283132639	0.0343568409557	0.50398090646	0.0379502896205	0.425798203801	43.918	-91.076	-60.816
29	4.43893783638	-0.246288708069	-0.239497685132	3.95159444498	-0.782243414025	4.06160052938	-0.155136109359	-0.234696521286	-0.567317885375	-0.0839914780571	0.0893379488989	0.178952504791	0.469188871737	-0.197930140736	0.0617904125454	0.38884443105	-0.051327497377	0.0661178098207	0.382687236028	-0.0548486358151	0.457453280751	38.776	-99.058	-72.11
30	4.04295719313	0.227265101793	-1.3781053626	6.17123339712	2.27023979262	4.40765525163	0.160650811654	0.104904561419	-0.247962712817	-0.0577182576029	-0.0556762080727	-0.099156035162	-0.04138662426	-0.0708975778664	-0.0761220854064	0.271947709265	-0.061847770444	0.0160264483438	0.380662780699	0.0505919152607	0.303324609715	41.335	-90.176	-75.837
31	1.4030208838	0.0210946570462	0.582361761842	3.10478622341	-1.06878627297	2.40090179155	-0.132236161884	0.0525594620655	0.0935801177541	-0.0554364731039	0.021161566148	0.172700390717	0.120616721244	-0.301811900526	0.118616288252	0.347138654186	-0.0266359046209	-0.0109224242938	0.435311318052	-0.0224394264073	0.355497153442	8.024	-92.267	-41.688
32	2.60960340496	-2.22337684817	0.230451824574	3.77559106281	-0.412453666999	3.61431379706	-0.21067130061	0.530890177392	0.463781366841	-1.01011696366	0.16921717285	0.315311356745	0.465258546729	-0.319074572574	0.0211752448806	0.556690650205	-0.0614791431656	-0.161291386037	0.600564390369	0.0425699166632	0.496627326924	4.292	-90.387	-57.19
33	1.30231613437	-0.908345241794	0.171800486361	4.17938232781	-1.40683856064	2.61566768621	-0.0713835956414	0.070195651693	-0.144756944102	-0.475939588243	0.0747275699787	0.452400160536	0.714538027793	-0.388538431804	0.000809528434701	0.608902751771	-0.12456585111	-0.0141674961686	0.529689431497	-0.032887303937	0.429040132738	7.223	-104.468	-45.673
34	2.27285795859	-1.64438311457	0.628102815535	4.2195720699	-0.994401507655	3.71865612514	-0.0612810477129	0.0844992783562	-0.0469747539041	-0.0539270059378	-0.218269321592	-0.139003144984	0.632518065992	0.201897896289	0.298813584154	0.443530514886	-0.00876549998701	0.0864116207369	0.402982740329	0.0174895013387	0.289328432319	17.803	-104.784	-41.319

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 5:33 )	A	5 - 33
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 34:129 )	A	34 - 129
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 130:199 )	A	130 - 199
4	X-RAY DIFFRACTION	4	( CHAIN A AND RESID 200:252 )	A	200 - 252
5	X-RAY DIFFRACTION	5	( CHAIN A AND RESID 253:286 )	A	253 - 286
6	X-RAY DIFFRACTION	6	( CHAIN A AND RESID 287:332 )	A	287 - 332
7	X-RAY DIFFRACTION	7	( CHAIN A AND RESID 333:353 ) OR ( CHAIN F AND RESID 511:515 )	A	333 - 353
8	X-RAY DIFFRACTION	7	( CHAIN A AND RESID 333:353 ) OR ( CHAIN F AND RESID 511:515 )	F	511 - 515
9	X-RAY DIFFRACTION	8	( CHAIN B AND RESID 5:51 )	B	5 - 51
10	X-RAY DIFFRACTION	9	( CHAIN B AND RESID 52:74 )	B	52 - 74
11	X-RAY DIFFRACTION	10	( CHAIN B AND RESID 75:185 )	B	75 - 185
12	X-RAY DIFFRACTION	11	( CHAIN B AND RESID 186:228 )	B	186 - 228
13	X-RAY DIFFRACTION	12	( CHAIN B AND RESID 229:255 )	B	229 - 255
14	X-RAY DIFFRACTION	13	( CHAIN B AND RESID 256:332 )	B	256 - 332
15	X-RAY DIFFRACTION	14	( CHAIN B AND RESID 333:353 ) OR ( CHAIN G AND RESID 511:514 )	B	333 - 353
16	X-RAY DIFFRACTION	14	( CHAIN B AND RESID 333:353 ) OR ( CHAIN G AND RESID 511:514 )	G	511 - 514
17	X-RAY DIFFRACTION	15	( CHAIN C AND RESID 5:51 )	C	5 - 51
18	X-RAY DIFFRACTION	16	( CHAIN C AND RESID 52:75 )	C	52 - 75
19	X-RAY DIFFRACTION	17	( CHAIN C AND RESID 76:175 )	C	76 - 175
20	X-RAY DIFFRACTION	18	( CHAIN C AND RESID 176:211 )	C	176 - 211
21	X-RAY DIFFRACTION	19	( CHAIN C AND RESID 212:255 )	C	212 - 255
22	X-RAY DIFFRACTION	20	( CHAIN C AND RESID 256:307 )	C	256 - 307
23	X-RAY DIFFRACTION	21	( CHAIN C AND RESID 308:353 ) OR ( CHAIN N AND RESID 511:515 )	C	308 - 353
24	X-RAY DIFFRACTION	21	( CHAIN C AND RESID 308:353 ) OR ( CHAIN N AND RESID 511:515 )	N	511 - 515
25	X-RAY DIFFRACTION	22	( CHAIN D AND RESID 5:30 )	D	5 - 30
26	X-RAY DIFFRACTION	23	( CHAIN D AND RESID 31:51 )	D	31 - 51
27	X-RAY DIFFRACTION	24	( CHAIN D AND RESID 52:129 )	D	52 - 129
28	X-RAY DIFFRACTION	25	( CHAIN D AND RESID 130:185 )	D	130 - 185
29	X-RAY DIFFRACTION	26	( CHAIN D AND RESID 186:211 )	D	186 - 211
30	X-RAY DIFFRACTION	27	( CHAIN D AND RESID 212:252 )	D	212 - 252
31	X-RAY DIFFRACTION	28	( CHAIN D AND RESID 253:286 )	D	253 - 286
32	X-RAY DIFFRACTION	29	( CHAIN D AND RESID 287:332 )	D	287 - 332
33	X-RAY DIFFRACTION	30	( CHAIN D AND RESID 333:353 ) OR ( CHAIN O AND RESID 511:514 )	D	333 - 353
34	X-RAY DIFFRACTION	30	( CHAIN D AND RESID 333:353 ) OR ( CHAIN O AND RESID 511:514 )	O	511 - 514
35	X-RAY DIFFRACTION	31	( CHAIN E AND RESID 5:199 )	E	5 - 199
36	X-RAY DIFFRACTION	32	( CHAIN E AND RESID 200:228 )	E	200 - 228
37	X-RAY DIFFRACTION	33	( CHAIN E AND RESID 229:332 )	E	229 - 332
38	X-RAY DIFFRACTION	34	( CHAIN E AND RESID 333:353 ) OR ( CHAIN P AND RESID 511:514 )	E	333 - 353
39	X-RAY DIFFRACTION	34	( CHAIN E AND RESID 333:353 ) OR ( CHAIN P AND RESID 511:514 )	P	511 - 514

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