7AUN

Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with PCP-InsP8

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	2019-04-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979260
Spacegroup name	P 32 2 1
Unit cell lengths	61.530, 61.530, 95.501
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.580 - 1.950
R-factor	0.2192
Rwork	0.217
R-free	0.25590
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7aui
RMSD bond length	0.005
RMSD bond angle	1.315
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]	47.750	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.056	0.654
Rpim	0.015	0.167
Number of reflections	15810	1101
<I/σ(I)>	25.3	4.3
Completeness [%]	100.0	100
Redundancy	15.3	16.1
CC(1/2)	0.999	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	20% PEG 3350, 0.1 M Sodium acetate pH 4.5, 0.1 M NaCl, 5 mM Magnesium chloride. Protein buffer: 20 mM Tris pH 8.0, 150 mM NaCl, 1 mM DTT, 10 mM PCP-InsP8.