9MBG

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-14
Detector	RAYONIX MX-300
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	46.195, 47.474, 123.407
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.980 - 1.200
R-factor	0.1412
Rwork	0.139
R-free	0.17980
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.232
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]	36.980	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.063	0.634
Number of reflections	85667	4250
<I/σ(I)>	45
Completeness [%]	99.8
Redundancy	6.9

Crystallization Conditions

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