9T4L

HumanDiphosphoinositol Polyphosphate Phosphohydrolase 1 (DIPP1) E108N 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	2024-05-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	34.473, 65.398, 77.972
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.100 - 1.130
Rwork	0.173
R-free	0.20350
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.013
RMSD bond angle	2.096
Data reduction software	autoPROC (1.1.7)
Data scaling software	autoPROC (1.1.7)
Phasing software	REFMAC (5.8.0419)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.100	1.230
High resolution limit [Å]	1.130	1.130
Rpim	0.020	0.380
Number of reflections	51069	2523
<I/σ(I)>	16.72	1.6
Completeness [%]	94.4
Redundancy	11.8
CC(1/2)	0.999	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	Protein: 20mg/mL IP6: 10mM Precipitant condition: 25% PEG 3350, 0.1M Bis-Tris pH 5.5, 0.2M NaCl Ratio: 1:2