4PUL

tRNA-Guanine Transglycosylase (TGT) Mutant D102N in Complex with 6-Amino-2-(methylamino)-1H,7H,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	2012-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.23953
Spacegroup name	C 1 2 1
Unit cell lengths	89.670, 64.180, 70.360
Unit cell angles	90.00, 92.86, 90.00

Refinement procedure

Resolution	70.272 - 1.654
R-factor	0.1674
Rwork	0.167
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pud
RMSD bond length	0.007
RMSD bond angle	1.056
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	1.850
High resolution limit [Å]	1.650	1.650
Number of reflections	43729
<I/σ(I)>	22.3	3.8
Completeness [%]	91.6	73.8
Redundancy	3.1	2.6

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