7AUT

Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 mutation K63A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979257
Spacegroup name	P 32 2 1
Unit cell lengths	61.785, 61.785, 96.184
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.800 - 1.600
R-factor	0.1916
Rwork	0.191
R-free	0.21090
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7aui
RMSD bond length	0.008
RMSD bond angle	1.444
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.090	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.055	0.698
Rpim	0.016	0.190
Number of reflections	28567	1393
<I/σ(I)>	28.4	4.1
Completeness [%]	99.7	99.2
Redundancy	13.8	14.3
CC(1/2)	0.999	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	24% PEG 3350, 0.1M Sodium acetate pH 4.5, 0.1M NaCl. Protein buffer: 20 mM Tris pH 8.0, 150 mM NaCl, 1 mM DTT.