7AUQ

Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with Ap5A and Ca2+

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	2019-10-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979260
Spacegroup name	P 32 2 1
Unit cell lengths	61.999, 61.999, 95.405
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.840 - 2.250
R-factor	0.2062
Rwork	0.205
R-free	0.22840
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7aui
RMSD bond length	0.008
RMSD bond angle	1.639
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.840	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.105	0.652
Rpim	0.035	0.211
Number of reflections	10184	945
<I/σ(I)>	11.7	3.3
Completeness [%]	97.9	99.5
Redundancy	9.6	10
CC(1/2)	0.995	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	27% PEG 1500, 0.1 M PCB pH 5.0, 5 mM Calcium chloride. Protein buffer: 20 mM Tris pH 8.0, 150 mM NaCl, 1 mM DTT, 10 mM Ap5A.