9MBH

8-Oxo-dGTP hydrolysis in human MTH1(G2K mutant) crystal using Mn2+: the ES-3M complex

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	2015-06-22
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	46.488, 47.612, 123.846
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.960 - 1.210
R-factor	0.141
Rwork	0.139
R-free	0.17140
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.218
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]	25.960	1.230
High resolution limit [Å]	1.210	1.210
Rmerge	0.052	0.556
Number of reflections	84684	4141
<I/σ(I)>	29.1
Completeness [%]	99.8
Redundancy	6.3

Crystallization Conditions

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