5LPO

tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918408
Spacegroup name	C 1 2 1
Unit cell lengths	84.662, 64.819, 71.241
Unit cell angles	90.00, 93.53, 90.00

Refinement procedure

Resolution	42.440 - 1.420
R-factor	0.1335
Rwork	0.132
R-free	0.16270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p0d
RMSD bond length	0.005
RMSD bond angle	0.826
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]	42.440	1.500
High resolution limit [Å]	1.420	1.420
Rmerge		0.322
Number of reflections	71176
<I/σ(I)>	17.2	2.9
Completeness [%]	97.8	90.1
Redundancy	3	2.7

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