7APL

tRNA-guanine transglycosylase G87C mutant spin-labeled with MTSL

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	2018-12-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	C 2 2 21
Unit cell lengths	64.542, 90.947, 167.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.590 - 1.990
R-factor	0.1736
Rwork	0.172
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p0d
RMSD bond length	0.006
RMSD bond angle	0.796
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]	44.590	2.110
High resolution limit [Å]	1.990	1.990
Number of reflections	35628	5311
<I/σ(I)>	15.2	2.8
Completeness [%]	97.9	97.6
Redundancy	5.1	5.6
CC(1/2)	0.998	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291.15	0.1 M TRIS, pH 8.5, 7% PEG 8000, 10% DMSO