8I1J

Crystal structure of human MTH1(G2K/D120N mutant) in complex with 2-oxo-dATP at pH 9.7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-29
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	45.482, 47.324, 122.785
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.790 - 1.080
R-factor	0.1434
Rwork	0.142
R-free	0.17420
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.021
RMSD bond angle	1.416
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.790	1.150
High resolution limit [Å]	1.080	1.080
Rmerge	0.054	0.398
Number of reflections	111961	16641
<I/σ(I)>	16.8
Completeness [%]	98.5
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	sodium citrate, caps, NaCl