8I1G

Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP at pH 9.1

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	2017-11-29
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	45.914, 48.009, 124.144
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.180 - 1.180
R-factor	0.1399
Rwork	0.138
R-free	0.17130
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.041
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.180	1.250
High resolution limit [Å]	1.180	1.180
Rmerge	0.073	0.370
Number of reflections	90997	74880
<I/σ(I)>	13.5
Completeness [%]	99.1
Redundancy	6.3

Crystallization Conditions

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