9T4G

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87313
Spacegroup name	P 21 21 21
Unit cell lengths	34.574, 65.682, 79.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.540 - 1.280
Rwork	0.169
R-free	0.19230
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.997
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]	50.540	1.370
High resolution limit [Å]	1.280	1.280
Rpim	0.020	0.300
Number of reflections	38659	1933
<I/σ(I)>	14.7	1.4
Completeness [%]	91.5
Redundancy	12.7
CC(1/2)	0.990	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	Protein: 20 mg/mL IP6: 10 mM Precipitant condition: 28% PEG 6K, 0.1M NaOAc pH 5, 0.2M LiCl and 1mM MgCl2 Ratio: 1:1