5GHJ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	46.530, 47.289, 123.672
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.180 - 1.200
R-factor	0.1451
Rwork	0.143
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.167
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.052
Number of reflections	85333
<I/σ(I)>	23.4
Completeness [%]	99.0
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	sodium citrate, sodium cacodylate, NaCl