9T4K

Human Diphosphoinositol Polyphosphate Phosphohydrolase 1 (DIPP1) H91M mutant in complex with IP6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.88560
Spacegroup name	P 21 21 21
Unit cell lengths	34.412, 64.869, 78.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.350 - 1.394
Rwork	0.187
R-free	0.22710
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.011
RMSD bond angle	1.945
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]	39.350	1.492
High resolution limit [Å]	1.390	1.394
Rpim	0.050	0.810
Number of reflections	26701	1304
<I/σ(I)>	9.5	1.4
Completeness [%]	94.4
Redundancy	13.2
CC(1/2)	0.990	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	Protein: 19.5mg/mL IP6: 10mM Precipitant condition: 32% PEG 6K, 0.1M NaOAc pH 5, 0.2M LiCl, 1mM MgCl2 Ratio: 1:1