5GHP

Crystal structure of human MTH1(G2K/D120A mutant) in complex with 2-oxo-dATP

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	2015-09-25
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	46.233, 47.237, 123.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.285 - 1.192
R-factor	0.1485
Rwork	0.147
R-free	0.17890
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.979
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	1.210
High resolution limit [Å]	1.190	1.190
Rmerge	0.084
Number of reflections	86636
<I/σ(I)>	37.2
Completeness [%]	99.9
Redundancy	7.1

Crystallization Conditions

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