4Q8W

tRNA-Guanine Transglycosylase (TGT) in Complex with 4-[2-({6-Amino-8-oxo-1H,7H,8H-imidazo[4,5-g]quinazolin-2-yl}amino)ethyl]benzoic acid

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	2013-11-14
Detector	PILATUS
Wavelength(s)	0.97627
Spacegroup name	C 1 2 1
Unit cell lengths	89.830, 64.680, 70.680
Unit cell angles	90.00, 96.28, 90.00

Refinement procedure

Resolution	70.257 - 1.140
R-factor	0.1351
Rwork	0.134
R-free	0.14960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pud
RMSD bond length	0.006
RMSD bond angle	1.169
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	1.190
High resolution limit [Å]	1.140	1.140
Number of reflections	134549
<I/σ(I)>	27.8	4.7
Completeness [%]	92.0	80
Redundancy	5.7	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291.15	100 mM MES, 10% DMSO, 13% PEG 8000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K