7A4X

tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with dimethyl sulfoxide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.79990
Spacegroup name	P 65 2 2
Unit cell lengths	128.122, 128.122, 114.408
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	64.060 - 2.050
R-factor	0.1726
Rwork	0.171
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pud
RMSD bond length	0.007
RMSD bond angle	0.794
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.060	2.170
High resolution limit [Å]	2.050	2.050
Number of reflections	35368	5626
<I/σ(I)>	22.3	5.7
Completeness [%]	99.9	99.3
Redundancy	21.9
CC(1/2)	0.999	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291.15	0.1 M TRIS, pH 8.5, 5% PEG 6000