3EPP

Crystal structure of mRNA cap guanine-N7 methyltransferase (RNMT) in complex with sinefungin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-05-30
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	58.515, 73.650, 147.518
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.920 - 2.410
R-factor	0.231
Rwork	0.228
R-free	0.30000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.564
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.094	0.067	0.390
Number of reflections	24532
<I/σ(I)>	15.874
Completeness [%]	97.2	96.7	96
Redundancy	4.8	4.7	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	20% PEG 3350, 0.2 M KSCN, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K