8I8T

Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dAMP and Mn2+

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)	1
Spacegroup name	P 21 21 21
Unit cell lengths	46.476, 47.512, 124.061
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.370 - 1.220
R-factor	0.1513
Rwork	0.150
R-free	0.17990
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	0.869
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]	44.370	1.240
High resolution limit [Å]	1.220	1.220
Rmerge	0.054	0.514
Number of reflections	80949	3847
<I/σ(I)>	38.9
Completeness [%]	98.4
Redundancy	5.8

Crystallization Conditions

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