8I1D

Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP at pH 7.7

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	46.145, 47.700, 123.984
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.170 - 1.200
R-factor	0.1375
Rwork	0.136
R-free	0.16300
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.384
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]	33.170	1.270
High resolution limit [Å]	1.200	1.200
Rmerge	0.034	0.296
Number of reflections	83475	12275
<I/σ(I)>	27.9
Completeness [%]	95.9
Redundancy	6.5

Crystallization Conditions

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