7A4K

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 65 2 2
Unit cell lengths	128.270, 128.270, 114.971
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.810 - 1.680
R-factor	0.1571
Rwork	0.155
R-free	0.18990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pud
RMSD bond length	0.008
RMSD bond angle	0.926
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]	42.810	1.780
High resolution limit [Å]	1.680	1.680
Number of reflections	63158	10078
<I/σ(I)>	25.9	1.6
Completeness [%]	98.9	99.2
Redundancy	15.6	15.8
CC(1/2)	1.000	0.615

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	283.15	0.1 M TRIS, pH 8.5, 4% PEG 6000