9MBK

2-Oxo-dATP hydrolysis in human MTH1(G2K mutant) crystal using Mn2+: the ES complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	46.541, 47.292, 123.469
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.170 - 1.180
R-factor	0.1312
Rwork	0.130
R-free	0.15690
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.146
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.170	1.200
High resolution limit [Å]	1.180	1.180
Rmerge	0.076	0.252
Number of reflections	90410	4375
<I/σ(I)>	30.4
Completeness [%]	99.7
Redundancy	6.4

Crystallization Conditions

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