7AUP

Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with PCP-InsP7

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	61.702, 61.702, 95.844
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.720 - 1.850
R-factor	0.2258
Rwork	0.223
R-free	0.26820
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7aun
RMSD bond length	0.011
RMSD bond angle	1.826
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.720	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.052	0.652
Rpim	0.013	0.160
Number of reflections	18625	1141
<I/σ(I)>	33.2	6.2
Completeness [%]	100.0	100
Redundancy	18.6	17.9
CC(1/2)	1.000	0.915

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. Protein buffer: 20 mM Tris pH 8.0, 150 mM NaCl, 1 mM DTT, 10 mM PCP-InsP7.