4HSH

tRNA-guanine transglycosylase Y106F, V233G mutant in complex with queuine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	113.15
Detector technology	CCD
Collection date	2012-04-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	C 1 2 1
Unit cell lengths	90.554, 64.778, 70.479
Unit cell angles	90.00, 95.95, 90.00

Refinement procedure

Resolution	20.889 - 1.560
R-factor	0.1565
Rwork	0.155
R-free	0.18120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3GEV
RMSD bond length	0.017
RMSD bond angle	1.613
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.590
High resolution limit [Å]	1.560	1.560
Number of reflections	57754
<I/σ(I)>	15.4	2.7
Completeness [%]	100.0	100
Redundancy	4.2	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291.15	100 mM Tris, 1 mM DTT, 10% DMSO, 12% PEG 8000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K