8I19

Crystal structure of human MTH1(G2K mutant) in complex with 8-oxo-dGTP at pH 8.0

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	2011-07-23
Detector	RAYONIX MX225HE
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	45.498, 47.993, 123.489
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.630 - 1.480
R-factor	0.1525
Rwork	0.150
R-free	0.19010
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5ghi
RMSD bond length	0.005
RMSD bond angle	1.108
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]	36.630	1.510
High resolution limit [Å]	1.480	1.480
Rmerge	0.080	0.268
Number of reflections	45875	2237
<I/σ(I)>	39.8
Completeness [%]	99.4
Redundancy	7.1

Crystallization Conditions

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