8I1F

Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP at pH 8.6

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	45.978, 47.933, 124.048
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.180 - 1.050
R-factor	0.1433
Rwork	0.142
R-free	0.16200
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.242
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]	33.180	1.110
High resolution limit [Å]	1.050	1.050
Rmerge	0.049	0.286
Number of reflections	124181	18333
<I/σ(I)>	21.9
Completeness [%]	95.7
Redundancy	6.5

Crystallization Conditions

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