7A3V

tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with 3-hydroxysulfolane

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	2020-02-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 65 2 2
Unit cell lengths	127.959, 127.959, 115.518
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.870 - 1.700
R-factor	0.1817
Rwork	0.181
R-free	0.20030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pud
RMSD bond length	0.006
RMSD bond angle	0.793
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]	42.870	1.800
High resolution limit [Å]	1.700	1.700
Number of reflections	61476	9767
<I/σ(I)>	13.5	1.3
Completeness [%]	99.7	98.4
Redundancy	17.1
CC(1/2)	0.998	0.600

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