6JVF

Crystal structure of human apo MTH1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-05
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	59.240, 66.970, 79.921
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.386 - 1.730
R-factor	0.1883
Rwork	0.186
R-free	0.21740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.793
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.790
High resolution limit [Å]	1.730	3.730	1.730
Rmerge	0.061	0.024	0.484
Rmeas	0.069	0.028	0.544
Rpim	0.032	0.013	0.245
Number of reflections	33825	3570	3356
<I/σ(I)>	13.5
Completeness [%]	99.7	99.1	99.6
Redundancy	4.5	4.2	4.5
CC(1/2)		0.999	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	3.75	298	30% PEG6 000, 200 mM Lithium sulphate, 100 mM Sodium acetate pH 3.75