7AUR

Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with AMP-PNP

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	2018-12-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979300
Spacegroup name	P 32 2 1
Unit cell lengths	61.958, 61.958, 95.924
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.870 - 1.650
R-factor	0.2106
Rwork	0.209
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7aui
RMSD bond length	0.007
RMSD bond angle	1.512
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]	47.960	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.083	0.666
Rpim	0.020	0.164
Number of reflections	26240	1299
<I/σ(I)>	18.9	4.8
Completeness [%]	99.8	99.8
Redundancy	19	17.2
CC(1/2)	0.999	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	25% PEG 6000, 0.1 M Sodium acetate pH 5.0, 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 AMP-PNP.