9MBL

2-Oxo-dATP hydrolysis in human MTH1(G2K mutant) crystal using Mn2+: the ES-2M 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	46.503, 47.357, 123.631
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.220 - 1.370
R-factor	0.1361
Rwork	0.134
R-free	0.18100
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	0.969
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]	44.220	1.390
High resolution limit [Å]	1.370	1.370
Rmerge	0.058	0.295
Number of reflections	57873	2845
<I/σ(I)>	31.6
Completeness [%]	100.0
Redundancy	5.6

Crystallization Conditions

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