7AUI

Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 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	2018-11-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979260
Spacegroup name	P 32 2 1
Unit cell lengths	61.776, 61.776, 96.458
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.830 - 1.980
R-factor	0.2083
Rwork	0.208
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fvv
RMSD bond length	0.006
RMSD bond angle	1.546
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.230	2.030
High resolution limit [Å]	1.980	1.980
Rmerge	0.050	0.663
Rpim	0.013	0.159
Number of reflections	15385	1047
<I/σ(I)>	32.3	5.5
Completeness [%]	100.0	100
Redundancy	17.3	18.5
CC(1/2)	1.000	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	25% PEG 6000, 0.1 M Sodium acetate pH 4.5, 0.1 M NaCl. Protein:precipitant ratio 2:1. Protein buffer: 20 mM Tris pH 8.0, 150 mM NaCl, 1 mM DTT, 5 mM InsP6.