8I1C

Crystal structure of human MTH1(G2K mutant) in complex with 8-oxo-dGTP at pH 9.1

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	45.799, 47.960, 123.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.630 - 1.400
R-factor	0.1541
Rwork	0.152
R-free	0.18440
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.938
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]	30.630	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.053	0.139
Number of reflections	53968	5040
<I/σ(I)>	58.6
Completeness [%]	99.0
Redundancy	6.6

Crystallization Conditions

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