6EQ6

MTH1 in complex with fragment 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	60.467, 66.955, 36.161
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.876 - 2.002
R-factor	0.2035
Rwork	0.198
R-free	0.25470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.778
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.000	2.000
Rmeas	0.054	0.249
Number of reflections	17674	2798
<I/σ(I)>	12.65	4.64
Completeness [%]	92.4	91.3
Redundancy	1.8	1.74
CC(1/2)	0.998	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	23 % PEG3350, 0.2 M LI2SO4, 0.1 M SODIUM ACETATE PH 4.5