5I00

tRNA guanine transglycosylase (TGT) in co-crystallized complex with 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.895
Spacegroup name	C 1 2 1
Unit cell lengths	91.299, 65.114, 70.644
Unit cell angles	90.00, 96.25, 90.00

Refinement procedure

Resolution	35.112 - 1.490
R-factor	0.1262
Rwork	0.125
R-free	0.15560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p0d
RMSD bond length	0.005
RMSD bond angle	0.783
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]	45.380	1.580
High resolution limit [Å]	1.490	1.490
Rmerge		0.480
Number of reflections	67096
<I/σ(I)>	15.2	3.1
Completeness [%]	99.6	99
Redundancy	3.4	3.3

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,