5I07

tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-Amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-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	2015-10-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	69.133, 78.854, 85.171
Unit cell angles	90.00, 108.99, 90.00

Refinement procedure

Resolution	19.870 - 1.890
R-factor	0.1926
Rwork	0.191
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p0d
RMSD bond length	0.008
RMSD bond angle	0.858
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]	19.870	2.010
High resolution limit [Å]	1.890	1.890
Rmerge		0.493
Number of reflections	67732
<I/σ(I)>	11.3	2.7
Completeness [%]	98.3	95.8
Redundancy	4.3	4.2

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