7AUL

Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with 5-InsP7 in presence of Mg

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	2020-07-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979260
Spacegroup name	P 32 2 1
Unit cell lengths	61.634, 61.634, 95.978
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.690 - 1.850
R-factor	0.2603
Rwork	0.259
R-free	0.28140
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7auk
RMSD bond length	0.005
RMSD bond angle	1.414
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]	47.990	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.078	0.650
Rpim	0.021	0.183
Number of reflections	18607	1124
<I/σ(I)>	17.9	3.2
Completeness [%]	100.0	100
Redundancy	15.2	13.6
CC(1/2)	0.998	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	25% 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, 5 mM 5-InsP7.