6IMZ

Crystal structure of MTH1 in complex with 18-Crown-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	I 4 2 2
Unit cell lengths	66.434, 66.434, 140.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.017 - 2.100
R-factor	0.1997
Rwork	0.198
R-free	0.22770
RMSD bond length	0.008
RMSD bond angle	0.817
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1-2155_1069: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.020	2.180
High resolution limit [Å]	2.100	2.100
Rpim	0.028	0.224
Number of reflections	9505
<I/σ(I)>	19.7
Completeness [%]	99.4
Redundancy	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% PEG3350, 1.8 mM ZnSO4, 6% sucrose, 0.1 M Bis-Tris pH 6.1