7Z05

White Bream virus N7-Methyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.992
Spacegroup name	C 1 2 1
Unit cell lengths	105.216, 49.787, 53.926
Unit cell angles	90.00, 97.72, 90.00

Refinement procedure

Resolution	52.130 - 2.330
R-factor	0.214
Rwork	0.211
R-free	0.26530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	alpha fold 2
Data reduction software	XDS (20200131)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.130	52.130	2.450
High resolution limit [Å]	2.330	7.360	2.330
Rmerge	0.131	0.041	0.924
Rmeas	0.142	0.044	1.002
Rpim	0.055	0.017	0.383
Total number of observations	80985	2552	11742
Number of reflections	12026	406	1739
<I/σ(I)>	9.9	27.3	2.4
Completeness [%]	99.9	99.3	99.9
Redundancy	6.7	6.3	6.8
CC(1/2)	0.998	0.999	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.7	293.15	0.1 M Tris, 20.3 % PEG 3350, 0.2 M MgCl and 10% isopropanol