4E2V

tRNA-guanine transglycosylase Y106F, C158V mutant in complex with preQ1

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	2010-12-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	C 1 2 1
Unit cell lengths	90.363, 64.894, 70.375
Unit cell angles	90.00, 95.82, 90.00

Refinement procedure

Resolution	21.031 - 1.180
R-factor	0.1391
Rwork	0.138
R-free	0.15280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3GEV
RMSD bond length	0.007
RMSD bond angle	1.202
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.200
High resolution limit [Å]	1.180	1.180
Number of reflections	125858
<I/σ(I)>	21.4	4.13
Completeness [%]	95.0	88
Redundancy	2.5	2.2

Crystallization Conditions

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