8QDJ

Ntaya virus methyltransferase in complex wih Sinefungin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-01
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.54187
Spacegroup name	P 1 21 1
Unit cell lengths	38.389, 71.092, 50.445
Unit cell angles	90.00, 92.70, 90.00

Refinement procedure

Resolution	26.070 - 1.800
R-factor	0.1757
Rwork	0.173
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.770
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.070	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.199	0.335
Rmeas	0.281	0.474
Rpim	0.199	0.335
Number of reflections	25149	2492
<I/σ(I)>	16.35	2.11
Completeness [%]	99.8	99.96
Redundancy	2	2
CC(1/2)	0.878	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.2 M Magnesium chloride hexahydrate, 0.1 M Bis-Tri 5.5, 25 % PEG 3350