7AUU

Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1-nose mutant in complex with InsP6

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	2019-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979257
Spacegroup name	P 32 2 1
Unit cell lengths	62.120, 62.120, 92.472
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.540 - 2.450
R-factor	0.2081
Rwork	0.206
R-free	0.25540
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7aui
RMSD bond length	0.004
RMSD bond angle	1.306
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]	46.540	2.550
High resolution limit [Å]	2.450	2.450
Rmerge	0.058	0.624
Rpim	0.016	0.178
Number of reflections	7984	873
<I/σ(I)>	21.3	3.2
Completeness [%]	99.9	100
Redundancy	12.9	12.9
CC(1/2)	0.999	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	25% PEG 3350, 0.1 M Bis-Tris propane pH 6.5, 0.2 M Sodium nitrate. Protein:precipitant ratio 3:1. Protein buffer: 20 mM Tris pH 8.0, 150 mM NaCl, 1 mM DTT, 10 mM InsP6.