5WS7

Crystal structure of human MTH1(G2K/C87A/C104S 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	2016-10-09
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	46.620, 47.344, 123.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.608 - 1.000
R-factor	0.118
Rwork	0.117
R-free	0.13770
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5ghj
RMSD bond length	0.009
RMSD bond angle	1.456
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.020
High resolution limit [Å]	1.000	1.000
Number of reflections	144098
<I/σ(I)>	68.3
Completeness [%]	97.0
Redundancy	9.6

Crystallization Conditions

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