7AUJ

Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 mutation E80Q in complex with 1-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	2020-01-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979257
Spacegroup name	P 32 2 1
Unit cell lengths	61.893, 61.893, 96.513
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.900 - 2.100
R-factor	0.2274
Rwork	0.225
R-free	0.26540
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7aui
RMSD bond length	0.004
RMSD bond angle	1.281
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]	48.260	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.053	0.558
Rpim	0.015	0.157
Number of reflections	13002	1051
<I/σ(I)>	26.1	4.8
Completeness [%]	100.0	99.9
Redundancy	13.1	13.6
CC(1/2)	0.999	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	15% 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, 2 mM 1-InsP7.