9MBM

2-Oxo-dATP hydrolysis in human MTH1(G2K mutant) crystal using Mn2+: the ES/EP-3M 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	2017-02-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	46.091, 47.374, 123.467
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.930 - 1.420
R-factor	0.1362
Rwork	0.134
R-free	0.18050
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	0.943
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]	36.930	1.440
High resolution limit [Å]	1.420	1.420
Rmerge	0.074	0.474
Number of reflections	51898	2517
<I/σ(I)>	27.3
Completeness [%]	99.2
Redundancy	5.1

Crystallization Conditions

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