6YH1

tRNA-guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-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	2018-01-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	85.872, 65.286, 71.982
Unit cell angles	90.00, 94.04, 90.00

Refinement procedure

Resolution	42.960 - 1.550
R-factor	0.135
Rwork	0.133
R-free	0.16730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pud
RMSD bond length	0.009
RMSD bond angle	0.976
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.960	1.650
High resolution limit [Å]	1.550	1.550
Number of reflections	55401	8137
<I/σ(I)>	11.68
Completeness [%]	96.9
Redundancy	3.7
CC(1/2)	0.997	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	100 mM MES pH 5.5, 0.5 mM DTT, 10% (v/v) DMSO, 13% (m/v) PEG8000