9GJZ

Ntaya methyltransferase (MTase) bound to AT-9010 (2'-methyl-2'-fluoro GTP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-29
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.5419
Spacegroup name	P 1 21 1
Unit cell lengths	38.331, 71.580, 50.328
Unit cell angles	90.00, 92.64, 90.00

Refinement procedure

Resolution	35.790 - 1.740
R-factor	0.1746
Rwork	0.173
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.860
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.790	1.810
High resolution limit [Å]	1.740	1.740
Number of reflections	49191	5018
<I/σ(I)>	6.87
Completeness [%]	95.2
Redundancy	1.8
CC(1/2)	0.991	0.443

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Sodium acetate trihydrate, 0.1M Sodium HEPES pH 7.5, 25% (w/v) PEG 3350