5LPQ

tRNA guanine Transglycosylase (TGT) in co-crystallized complex (space group P21) with 6-amino-4-(2-((3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)ethyl)-2-(methylamino)-1H-imidazo[4,5-g]quinazolin-8(7H)-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.7999
Spacegroup name	P 1 21 1
Unit cell lengths	68.900, 78.851, 84.943
Unit cell angles	90.00, 109.72, 90.00

Refinement procedure

Resolution	43.670 - 2.520
R-factor	0.2289
Rwork	0.227
R-free	0.26240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p0d
RMSD bond length	0.004
RMSD bond angle	0.479
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: 1492))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.090	2.680
High resolution limit [Å]	2.520	2.520
Rmerge		0.479
Number of reflections	28457
<I/σ(I)>	9.9	2.9
Completeness [%]	97.9	90.1
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	288	13% PEG 8000, 100mM MES, 1mM DTT, 10% DMSO