6GLT

Crystal structure of hMTH1 D120N in the presence of acetate

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	2017-07-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 2 21 21
Unit cell lengths	36.320, 60.441, 65.859
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.531 - 1.596
R-factor	0.1849
Rwork	0.182
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.211
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.12-2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.590
High resolution limit [Å]	1.500	1.500
Rmeas	0.049	0.388
Number of reflections	42584	6786
<I/σ(I)>	10.64	1.99
Completeness [%]	94.2	93.2
Redundancy	1.93	1.82
CC(1/2)	0.998	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	23-27% PEG3350, 0.2 M LiSO4, 0.1 M sodium acetate pH 4.5