8I1A

Crystal structure of human MTH1(G2K mutant) in complex with 8-oxo-dGTP at pH 8.6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-29
Detector	RAYONIX MX-225
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	45.783, 48.104, 123.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.350 - 1.400
R-factor	0.1522
Rwork	0.150
R-free	0.19160
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.031
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]	31.350	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.056	0.172
Number of reflections	54450	5003
<I/σ(I)>	53.1
Completeness [%]	98.9
Redundancy	6.3

Crystallization Conditions

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