PDB-8qhq: Crystal structure of human DNPH1 bound to hmdUMP

ID or keywords:

Entry

Database: PDB / ID: 8qhq

Title

Crystal structure of human DNPH1 bound to hmdUMP

Components

2'-deoxynucleoside 5'-phosphate N-hydrolase 1

Keywords

HYDROLASE / DNPH1 N-glycosidase hmdUMP

Function / homology

Function and homology information

purine nucleotide catabolic process / deoxyribonucleoside monophosphate catabolic process / 5-hydroxymethyl-dUMP N-hydrolase activity / nucleoside salvage / dGMP catabolic process / Purine catabolism / allantoin metabolic process / Hydrolases; Glycosylases; Hydrolysing N-glycosyl compounds / epithelial cell differentiation / positive regulation of cell growth ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.78 Å

Authors

Rzechorzek, N.J. / West, S.C.

Funding support

United Kingdom, European Union,

Switzerland, 6items

Organization	Grant number	Country
The Francis Crick Institute		United Kingdom
Cancer Research UK	CC2098	United Kingdom
Medical Research Council (MRC, United Kingdom)	CC2098	United Kingdom
Wellcome Trust	CC2098	United Kingdom
European Research Council (ERC)	ERC-ADG-666400	European Union
Louis-Jeantet Foundation		Switzerland

Citation

Journal: Nat Commun / Year: 2023
Title: Mechanism of substrate hydrolysis by the human nucleotide pool sanitiser DNPH1.
Authors: Rzechorzek, N.J. / Kunzelmann, S. / Purkiss, A.G. / Silva Dos Santos, M. / MacRae, J.I. / Taylor, I.A. / Fugger, K. / West, S.C.

History

Deposition	Sep 9, 2023	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Nov 8, 2023	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8qhq.cif.gz	618.5 KB	Display	PDBx/mmCIF format
PDB format	pdb8qhq.ent.gz	427.6 KB	Display	PDB format
PDBx/mmJSON format	8qhq.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	8qhq_validation.pdf.gz	2.7 MB	Display	wwPDB validaton report
Full document	8qhq_full_validation.pdf.gz	2.7 MB	Display
Data in XML	8qhq_validation.xml.gz	36.8 KB	Display
Data in CIF	8qhq_validation.cif.gz	51.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/qh/8qhq ftp://data.pdbj.org/pub/pdb/validation_reports/qh/8qhq	HTTPS FTP

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Related structure data

Related structure data	8qhrC 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

Deposited unit

A: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1

B: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1

C: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1

D: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1

E: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1

F: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1

hetero molecules

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

1

A: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1

B: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1

hetero molecules

defined by author
Evidence: gel filtration
33.6 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1

D: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1

hetero molecules

defined by author
Evidence: gel filtration
33.5 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

E: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1

hetero molecules

F: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1

hetero molecules

defined by author
Evidence: gel filtration
33.5 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	56.648, 67.126, 120.117
Angle α, β, γ (deg.)	90.000, 99.630, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb
Symmetry operation	#1: x,y,z #2: -x,y+1/2,-z

#1: Protein	2'-deoxynucleoside 5'-phosphate N-hydrolase 1 / c-Myc-responsive protein RCL Mass: 16337.365 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: DNPH1, C6orf108, RCL / Production host: Escherichia coli (E. coli) References: UniProt: O43598, Hydrolases; Glycosylases; Hydrolysing N-glycosyl compounds
#2: Chemical	ChemComp-5HU / 5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE Type: DNA linking / Mass: 338.208 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₁₀H₁₅N₂O₉P / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 8 / Source method: isolated from a natural source / Formula: C₂H₆O₂
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 498 / Source method: isolated from a natural source / Formula: H₂O
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: 2.3 Å³/Da / Density % sol: 46.47 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, sitting drop Details: 0.2 M sodium fluoride, 0.1 M Bis-Tris propane pH 6.5, 20% w/v PEG 3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9763 Å
Detector	Type: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Apr 23, 2021
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9763 Å / Relative weight: 1
Reflection	Resolution: 1.775→59.212 Å / Num. obs: 80370 / % possible obs: 93.5 % / Redundancy: 9.5 % / B_iso Wilson estimate: 25.79 Å² / CC_1/2: 0.999 / R_merge(I) obs: 0.125 / R_pim(I) all: 0.042 / R_rim(I) all: 0.132 / Net I/σ(I): 11.7
Reflection shell	Resolution: 1.775→1.806 Å / Num. unique obs: 3316 / CC_1/2: 0.3981

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Processing

Software

Name	Version	Classification
PHENIX	1.20.1_4487	refinement
autoPROC	1.0.5	data processing
XDS	Feb 5, 2021	data reduction
pointless	1.12.8	data scaling
Aimless	0.7.4	data scaling
PHASER	2.8.3	phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.78→55.85 Å / SU ML: 0.2371 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 29.5168
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2244	3817	4.78 %
R_work	0.2056	75985	-
obs	0.2066	79802	92.86 %

Solvent computation

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

Displacement parameters

B_iso mean: 35.87 Å²

Refinement step

Cycle: LAST / Resolution: 1.78→55.85 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6591	0	164	498	7253

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0023	7138
X-RAY DIFFRACTION	f_angle_d	0.56	9672
X-RAY DIFFRACTION	f_chiral_restr	0.038	1014
X-RAY DIFFRACTION	f_plane_restr	0.0046	1287
X-RAY DIFFRACTION	f_dihedral_angle_d	5.9387	1077

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 (%)
1.78-1.8	0.4291	120	0.3884	2147	X-RAY DIFFRACTION	72.2
1.8-1.82	0.3853	129	0.3724	2377	X-RAY DIFFRACTION	78.09
1.82-1.85	0.3095	135	0.3506	2523	X-RAY DIFFRACTION	85.58
1.85-1.87	0.3629	133	0.3379	2799	X-RAY DIFFRACTION	92.03
1.87-1.9	0.3394	151	0.3202	2891	X-RAY DIFFRACTION	95.96
1.9-1.93	0.3399	137	0.3081	2968	X-RAY DIFFRACTION	98.48
1.93-1.96	0.3304	160	0.2872	2986	X-RAY DIFFRACTION	98.31
1.96-2	0.3166	148	0.2738	2987	X-RAY DIFFRACTION	99.52
2-2.03	0.2766	168	0.264	3012	X-RAY DIFFRACTION	99.38
2.03-2.05	0.3084	56	0.2795	1427	X-RAY DIFFRACTION	88.96
2.07-2.11	0.2385	128	0.2581	2739	X-RAY DIFFRACTION	98.18
2.11-2.16	0.2795	134	0.2398	3025	X-RAY DIFFRACTION	99.5
2.16-2.21	0.2595	118	0.2357	3016	X-RAY DIFFRACTION	99.27
2.21-2.27	0.383	74	0.2632	1683	X-RAY DIFFRACTION	54.84
2.27-2.33	0.226	162	0.2166	2971	X-RAY DIFFRACTION	99.68
2.33-2.39	0.2345	152	0.2113	3030	X-RAY DIFFRACTION	99.47
2.39-2.47	0.2417	152	0.2039	3021	X-RAY DIFFRACTION	99.72
2.47-2.56	0.224	150	0.2081	3013	X-RAY DIFFRACTION	99.75
2.56-2.66	0.2502	153	0.2078	3019	X-RAY DIFFRACTION	99.65
2.66-2.78	0.2599	127	0.2067	3040	X-RAY DIFFRACTION	99.78
2.78-2.93	0.241	147	0.1974	3069	X-RAY DIFFRACTION	99.88
2.93-3.11	0.2008	165	0.1932	2990	X-RAY DIFFRACTION	99.53
3.11-3.35	0.2045	154	0.1852	3043	X-RAY DIFFRACTION	99.6
3.36-3.69	0.1773	174	0.1731	2987	X-RAY DIFFRACTION	99.75
3.69-4.23	0.1881	153	0.1534	3072	X-RAY DIFFRACTION	100
4.23-5.32	0.1782	171	0.1523	3050	X-RAY DIFFRACTION	99.91
5.33-55.85	0.1949	166	0.2041	3100	X-RAY DIFFRACTION	98.43

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	2.23173936548	0.329664903246	1.08813848433	0.716939125915	0.243406239713	1.57215368995	0.0358424874689	0.496293409476	0.38808702093	-0.0908165050193	-0.0109945312489	-0.114156037806	-0.126350890831	0.041644023984	-0.0345632058819	0.209512973291	0.0018947360004	0.00626746851244	0.301533287607	0.0458907175253	0.478271539249	26.6998918646	9.59741084175	35.26957545
2	0.114640737705	0.0179482679174	0.099035019014	0.421941515616	0.381590687785	0.400877842847	0.024338892893	0.203121819071	0.655894032619	-0.56119019326	-0.318167179142	0.211612113567	0.158540990213	-0.214013759999	0.0621159980585	0.39785621717	0.113779869991	0.182759966946	0.628717392324	0.265472682234	0.720074622186	15.9552164369	14.4669380607	25.255801087
3	1.96340549449	0.0140905902714	-0.0942469920763	0.753192185265	0.0887236197664	0.795915679249	-0.0212859037316	0.322813850579	-0.0714481388438	-0.059432194707	0.0764956331111	-0.135487070447	0.0934349172163	0.019246429502	-0.0305152514508	0.227221091821	0.00260935482801	0.00299127174569	0.33712495138	-0.0420886114626	0.51319218531	17.6093909094	1.27814396356	35.9994706448
4	2.26871911557	0.306251676189	-0.462436745046	1.10151113178	0.663872351337	2.16119235024	-0.048814479297	-0.327896482438	-0.168516804119	0.203261485822	0.0522631328647	-0.405560675814	0.122722474573	0.298389437796	-0.0114849199792	0.183784322542	0.0244257116899	-0.0282287392912	0.301649002126	0.0128517538295	0.412402376673	19.0633257166	7.37498302625	48.6407184566
5	1.84061492158	-0.27884722402	-0.660551799595	0.740659629575	-0.218657337011	1.34281945199	0.0573240311769	-0.375875103866	0.575222849273	0.145952387579	-0.0658308502199	-0.193953113164	-0.0230188380804	0.0641818218789	0.0593392086937	0.232452879615	-0.0113326215931	-0.011827819344	0.357716073165	-0.083754960202	0.548687359481	30.0163754523	9.89262992753	48.455921096
6	2.00734395665	-0.43468101881	0.30934982448	0.699834041555	0.599022805042	1.40142271238	0.0854317339112	-0.222930827672	-0.097854969196	0.170615357319	-0.0896819824532	0.150269065836	0.144063927571	-0.0784990578888	0.0135954047949	0.192981158703	0.0116846762692	0.00890772461672	0.237995358665	0.0393882173755	0.383294349993	-6.06575533914	3.71942596216	47.0527280428
7	2.16732224455	-0.644109780766	0.411202097092	2.02539607994	-0.308726612754	2.3928305907	-0.20503312577	-0.864581326806	0.514727872401	0.286650148203	0.0923650993434	0.325544530152	-0.398910712003	-0.0854595566907	0.0190891266219	0.328831941194	0.0343972307957	0.0102377374794	0.473778266544	-0.075624146301	0.551553478971	3.82455177355	12.6043108693	56.7926098784
8	1.96194457041	0.0436331375224	0.734037185251	1.79079333461	1.34614121345	2.48933588764	0.0184040804126	-0.259137560763	-0.494180605525	0.148469818475	0.0847207207028	-0.0949247211309	0.311614262258	0.217171401784	-0.0706949608849	0.255976498274	0.00529105372326	0.00504872401378	0.339164326659	0.0944437306051	0.490428734058	6.59387962999	-3.42829494952	53.8235210205
9	1.46319578669	-0.511577294671	-0.407324045747	0.866302657993	0.368113439523	0.964080523646	0.00098596552225	0.102902925941	0.0920369339348	-0.0306463296085	0.0337253394859	0.13470511551	0.096194387977	-0.0126171513096	-0.0252918117409	0.181243420581	0.0016226358525	0.00410833217301	0.217599066076	0.0055870347361	0.35397723602	4.82165925237	1.29801599551	42.0294441253
10	2.20025761435	0.0517953570018	-0.199051136131	1.04980338735	-0.196292816199	2.0710863281	-0.00994971436297	0.444844214121	-0.0733101939063	-0.14985651238	0.0993280726087	0.239064152805	0.0559374080883	-0.0384626961685	-0.0790108451746	0.17838204466	-0.00930695387107	-0.0274314185104	0.319012666257	-0.00427692111241	0.413148497708	0.856835317277	2.60421980526	33.3588916012
11	4.54032538579	1.02018092445	0.296600601492	0.792979386594	-0.365290735935	4.6595424476	0.129460226577	0.505520993906	-0.300828540066	-0.406158496861	-0.151996058408	0.163767878586	0.328108867406	-0.106733169946	0.00131291890009	0.247554719892	0.0190507850822	-0.0182823952319	0.31917369364	-0.0410191283073	0.447128407182	-11.4329349025	-0.0102858881402	35.6257607905
12	1.9169508801	0.0771153576101	0.515074962339	0.896550482902	0.227811462391	0.823328127538	0.0619147268394	0.16743440603	0.203270230221	-0.108227121648	-0.0336782354138	0.0792342681785	-0.110849573169	0.0806547398335	-0.0419461650911	0.185148227248	-0.0105254826489	0.0266693172025	0.230272403655	0.0332724005319	0.405593077352	28.0380382409	42.5840932973	34.3501849947
13	3.72144128249	0.217040526292	0.218591375698	1.65611552909	0.562583373765	1.75089977973	-0.0361069489219	-0.121695683848	0.0368323905462	-0.0690624961412	0.0629959310839	-0.132108561098	-0.0481771943462	0.0600738131029	-0.0109171060327	0.166610568435	0.0155541114273	0.0280627995978	0.201583798596	0.043900996298	0.330763138554	22.2516022458	38.9459194119	40.8534772395
14	2.42645903217	0.465521018739	-0.64224149841	0.926382392329	0.518027773069	1.58667183957	0.0136415869714	-0.487433333451	0.0907508237559	0.043855170283	-0.177594164417	-0.145870326372	0.0693382461434	0.0337217202329	0.177136447632	0.206771979023	0.0264246910263	-0.00887193016202	0.2926807593	0.039578527913	0.329075100573	-4.44844438548	36.7761586137	45.9661282101
15	1.49097608446	-0.198646763756	0.131714977799	3.04191122398	-0.597330456171	3.28631438463	-0.0412685306405	-0.80497745242	0.551101650496	0.434735329962	-0.0966120440632	0.0656575402309	-0.575310111336	0.535824718227	0.148817987122	0.457583840607	0.0140477486357	0.0157176273412	0.688700064803	-0.0960959352408	0.788321309788	5.19112607445	45.9126991341	55.7126327575
16	2.0745477219	0.0320083162394	-0.507014222742	1.48540096753	-0.097479945107	1.08643851718	-0.113838947889	-0.216807897036	-0.236860467552	0.0965933014032	0.00532215212523	0.0292553945153	0.124763329994	0.0693585214846	0.119766678848	0.138422340178	0.0146727015106	0.00900066364837	0.229470408168	0.0626011693797	0.293186094418	5.11014018131	34.0600830079	41.5089824369
17	2.39751443535	2.59614673732	-1.21355552091	6.08076843232	-2.2504090532	3.18693878888	-0.225052079627	0.423827866456	-0.718385236808	-0.310466908052	0.277854444191	-0.216806171419	0.536223870877	-0.402276047234	0.00587240487595	0.29813380402	-0.00257465713831	0.0104164347803	0.324937644715	0.00660339397436	0.378903355733	6.66611666641	30.3829137997	30.3415109541
18	2.3051330746	-0.330185585709	-0.60365099561	0.949747908544	-0.138200064781	1.34229987634	0.00565843791237	0.193089651299	0.014800511555	-0.0256426754141	0.0122399514879	-0.0868911676791	0.0502089033959	-0.177076869118	-0.00922690363696	0.200012373699	-0.0166335419099	-0.0357594446852	0.278925154636	0.00735766826436	0.341369191094	-7.41183568745	34.2746443562	33.0094564363
19	2.24696944501	-0.0919118043582	-0.411082289478	1.39846485386	0.0740412453021	2.82265248331	-0.0482007975034	0.0485847799136	-0.12635394332	0.463096380093	0.216819119864	-0.351004112627	-0.088419410062	0.144112825068	-0.117375255667	0.462154109141	-0.020178819293	-0.0644713164688	0.251101165738	-0.0181800692249	0.285962357428	1.61623425732	38.0772328524	12.1252003125
20	2.80256023293	-1.69243754375	-1.23577683983	2.60935307869	0.571783519988	3.05191899829	-0.14898300252	-0.13606398483	0.33643057456	0.0825981872089	0.343978730222	-0.72525139939	0.0892676547103	0.601415884202	-0.266093406001	0.3700367889	-0.000977610898771	-0.092203514774	0.357155924084	-0.0834585173969	0.363466461555	0.60288303586	38.9000312249	18.9224862889
21	1.08991878391	0.390356159743	-0.867743134374	1.05154907505	-0.133555531668	1.94067873537	-0.0326632287782	-0.161983666759	-0.125374796877	0.055011120385	0.0441005275205	-0.286696122504	0.325689993522	0.288202821641	-0.035514862344	0.350704641532	0.00861381095014	-0.0582444688584	0.260218011073	0.00292174484845	0.279484829241	1.63773337668	30.8867755765	7.53463723019
22	2.57159957237	-0.549170467835	-1.4597406235	0.265160215773	0.626457142211	3.41528199402	0.132455840131	0.262784726153	-0.183149075737	0.0257132706842	-0.101488535122	0.069870546301	0.219623950116	-0.848566953199	-0.0566363130094	0.314526152889	-0.0425850530431	-0.0784994465997	0.347716403811	0.0484546586897	0.272369214174	-11.9273596634	38.4010550048	5.12655127012
23	4.43144858751	-0.865580292547	0.156364566501	4.54319964985	0.887174409675	4.48770249049	-0.183844475127	-0.127554937873	-0.258683316455	0.381144622004	-0.0323964875019	0.495610184164	0.490809181776	-0.895833290883	0.0904694896364	0.414970861995	-0.0956654994225	-0.0556016923311	0.455473575314	-0.0835575486117	0.348454615243	-13.2645115201	36.8762017037	18.730841031
24	2.13956176794	0.331084458458	0.0611692661747	1.81098325379	0.218902332795	1.48448439436	0.0679139831187	-0.202640602493	-0.0607788992809	0.528301684911	0.0786900594527	-0.31775036135	-0.181737489052	0.385612736677	-0.164444529492	0.394483652936	0.0221183468485	-0.0342048627655	0.275794390793	-0.0490896242146	0.290948459364	0.0856466677078	5.507781278	12.8798800004
25	3.16207231045	0.39346346535	-2.07498479619	2.89074663582	-2.03515418896	6.63202632986	0.155876690704	-0.3044638672	0.250051716349	0.568992434948	0.0391930874846	-0.326304895391	-1.2114764124	0.0854463378061	-0.248238591548	0.352221477982	0.0288420374591	-0.0556894896689	0.281486991691	-0.0607692313574	0.340648167365	-4.14018843516	8.04067082593	20.7442332267
26	2.16135629999	0.459770308222	-3.45370326255	2.66033233138	0.343325201285	6.82117063162	-0.302587206433	-0.488567151647	0.857347109615	0.480789965203	0.27239831763	-0.840763083835	0.26330533784	0.820538889152	-0.00240634314884	0.290314897533	0.0137183641713	-0.116747995182	0.44665686999	0.025286515127	0.600264429041	3.26065332455	3.35440877158	18.7219002051
27	3.09252957737	1.25652593546	-1.52020428857	4.86432463478	-1.05605627286	2.63417972653	-0.242891171475	-0.721001574461	-0.48628866957	0.154778988917	0.147565069242	-0.891926522659	0.765082284646	0.834701556104	-7.34107184072E-5	0.475780171488	0.169207114722	-0.0797831264391	0.449159630349	-0.0596458810058	0.333358904074	8.73429002304	-4.60178658704	10.005505921
28	2.20055610495	-0.997002562415	-0.456510627981	1.09284481763	0.638017534115	1.83482234044	0.125667318619	0.281557688721	-0.0749919882903	-0.00701056923194	-0.0358466647214	-0.028566211732	0.472588638246	-0.27920078773	-0.0501227843165	0.402072658136	0.017661416644	-0.0655557885178	0.246186442429	0.0127223528236	0.297965531657	-2.58879587625	0.315971720727	6.75872285931
29	2.54271380797	-0.732160588208	-1.10152984683	1.99153004404	0.149968836627	3.63405309735	0.101535162097	0.221653702185	0.0170359737944	-0.046784784268	0.0119571622341	0.34408820233	0.349844423239	-0.760564609247	-0.125791227973	0.328485067266	-0.0407315709841	-0.0544836441913	0.315337802246	0.0124965743143	0.304243593631	-11.9138991395	3.00639495649	6.79810079754
30	4.85370560046	-0.794576821052	0.431477072634	5.93879816083	0.208489892028	5.22210115548	-0.340543901908	0.127401028226	-0.112522458078	-0.440737400007	0.403244220738	0.608572465077	0.3151106599	-1.12931578537	-0.0524366626174	0.41181149285	-0.0683187233389	-0.045298437347	0.534404098217	0.00742824291597	0.412218973642	-14.5369443086	3.91120410122	19.6095654328

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 18 through 58 )	A	A	18 - 58	1 - 41
2	2	chain 'A' and (resid 59 through 72 )	A	A	59 - 72	42 - 53
3	3	chain 'A' and (resid 73 through 110 )	A	A	73 - 110	54 - 91
4	4	chain 'A' and (resid 111 through 139 )	A	A	111 - 139	92 - 120
5	5	chain 'A' and (resid 140 through 162 )	A	A	140 - 162	121 - 143
6	6	chain 'B' and (resid 19 through 58 )	B	B	19 - 58	1 - 40
7	7	chain 'B' and (resid 59 through 73 )	B	B	59 - 73	41 - 55
8	8	chain 'B' and (resid 74 through 86 )	B	B	74 - 86	56 - 68
9	9	chain 'B' and (resid 87 through 110 )	B	B	87 - 110	69 - 92
10	10	chain 'B' and (resid 111 through 146 )	B	B	111 - 146	93 - 128
11	11	chain 'B' and (resid 147 through 161 )	B	B	147 - 161	129 - 143
12	12	chain 'C' and (resid 18 through 58 )	C	C	18 - 58	1 - 41
13	13	chain 'C' and (resid 59 through 162 )	C	C	59 - 162	42 - 143
14	14	chain 'D' and (resid 20 through 58 )	D	D	20 - 58	1 - 39
15	15	chain 'D' and (resid 59 through 73 )	D	D	59 - 73	40 - 54
16	16	chain 'D' and (resid 74 through 128 )	D	D	74 - 128	55 - 109
17	17	chain 'D' and (resid 129 through 139 )	D	D	129 - 139	110 - 120
18	18	chain 'D' and (resid 140 through 159 )	D	D	140 - 159	121 - 140
19	19	chain 'E' and (resid 20 through 35 )	E	E	20 - 35	1 - 16
20	20	chain 'E' and (resid 36 through 71 )	E	E	36 - 71	17 - 43
21	21	chain 'E' and (resid 72 through 119 )	E	E	72 - 119	44 - 91
22	22	chain 'E' and (resid 120 through 146 )	E	E	120 - 146	92 - 118
23	23	chain 'E' and (resid 147 through 160 )	E	E	147 - 160	119 - 132
24	24	chain 'F' and (resid 20 through 35 )	F	F	20 - 35	1 - 16
25	25	chain 'F' and (resid 36 through 48 )	F	F	36 - 48	17 - 29
26	26	chain 'F' and (resid 49 through 71 )	F	F	49 - 71	30 - 43
27	27	chain 'F' and (resid 72 through 86 )	F	F	72 - 86	44 - 58
28	28	chain 'F' and (resid 87 through 110 )	F	F	87 - 110	59 - 82
29	29	chain 'F' and (resid 111 through 146 )	F	F	111 - 146	83 - 118
30	30	chain 'F' and (resid 147 through 160 )	F	F	147 - 160	119 - 132

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