9MG6

Structure of Saccharomyces cerevisiae mRNA cap (guanine-N7) methyltransferase variant, Abd1-K163R-K311R-F387Y-Y416F, in complex with sinefungin and GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	C 2 2 21
Unit cell lengths	113.779, 201.170, 160.532
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.980 - 2.800
R-factor	0.17991
Rwork	0.178
R-free	0.21523
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.494
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.990	2.820
High resolution limit [Å]	2.730	2.730
Rmerge	0.194	0.801
Rmeas	0.216	0.886
Rpim	0.093	0.375
Total number of observations		23477
Number of reflections	48851	4380
<I/σ(I)>	6.8	2.3
Completeness [%]	99.3
Redundancy	5.2	5.4
CC(1/2)	0.983	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	2 M Ammonium Sulphate, 1.8% Ethylene Glycol, 100 mM Tris-HCl, 10 mM Tris(2-carboxyethl)phosphine hydrochloride