8ZE4

MPXV mRNA cap N7 methyltransferase mutant-H122D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 65 2 2
Unit cell lengths	136.560, 136.560, 177.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.700 - 3.330
R-factor	0.2783
Rwork	0.277
R-free	0.31310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.584
Data reduction software	xia2
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.700	3.420
High resolution limit [Å]	3.330	3.330
Number of reflections	14964	1081
<I/σ(I)>	12.3
Completeness [%]	99.9
Redundancy	23.1	23.1
CC(1/2)	0.998	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Sodium acetate trihydrate pH 4.6, 2.0 M Sodium formate