9T4J

Human Diphosphoinositol Polyphosphate Phosphohydrolase 1 (DIPP1) H91E mutant in complex with IP6

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	2022-03-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	34.031, 65.106, 79.234
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.303 - 1.324
Rwork	0.176
R-free	0.20560
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.013
RMSD bond angle	2.266
Data reduction software	autoPROC (1.0.5)
Data scaling software	Aimless (0.7.13)
Phasing software	REFMAC (5.8.0419)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.230	1.350
High resolution limit [Å]	1.324	1.324
Rpim	0.020	0.265
Number of reflections	41338	1966
<I/σ(I)>	19.1	2.2
Completeness [%]	98.7
Redundancy	12.1
CC(1/2)	0.990	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	Protein: 20mg/mL IP6: 5mM Precipitant condition: 26% PEG 6K 0.1M, NaOAc pH 5, 0.2M LiCl Ratio: 1:1