4Q4R

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

Replaces:  3V0YReplaces:  3GFN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	C 1 2 1
Unit cell lengths	89.941, 64.837, 70.756
Unit cell angles	90.00, 93.14, 90.00

Refinement procedure

Resolution	29.765 - 1.448
R-factor	0.1378
Rwork	0.136
R-free	0.17190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pud
RMSD bond length	0.005
RMSD bond angle	1.045
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.480
High resolution limit [Å]	1.450	1.450
Number of reflections	71426
<I/σ(I)>	12.2	2.2
Completeness [%]	99.6	99.9
Redundancy	3.1	3

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