7A0B

tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-3,4-dihydroxysulfolane

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	2019-12-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 65 2 2
Unit cell lengths	127.860, 127.860, 115.735
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.900 - 1.770
R-factor	0.1844
Rwork	0.183
R-free	0.20260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pud
RMSD bond length	0.007
RMSD bond angle	0.782
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]	42.900	1.880
High resolution limit [Å]	1.770	1.770
Number of reflections	54711	8690
<I/σ(I)>	17.9	1.5
Completeness [%]	99.9	99.8
Redundancy	11	11.2
CC(1/2)	0.999	0.613

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