7AUM

Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with 5-PCF2Am-InsP5

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	61.809, 61.809, 95.474
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.730 - 2.070
R-factor	0.2247
Rwork	0.224
R-free	0.23760
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7aui
RMSD bond length	0.006
RMSD bond angle	1.404
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]	47.740	2.130
High resolution limit [Å]	2.070	2.070
Rmerge	0.073	0.672
Rpim	0.018	0.156
Number of reflections	13380	1025
<I/σ(I)>	23.3	4.5
Completeness [%]	100.0	100
Redundancy	18.7	19.8
CC(1/2)	0.999	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	27% PEG 3350, 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, 10 mM 5-PCF2Am-InsP5.