9T4H

Human Diphosphoinositol Polyphosphate Phosphohydrolase 1 (DIPP1) R41A mutant 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	34.592, 65.496, 77.695
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.077 - 1.240
Rwork	0.169
R-free	0.20600
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.011
RMSD bond angle	2.033
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]	50.080	1.370
High resolution limit [Å]	1.240	1.240
Rpim	0.020	0.430
Number of reflections	33878	1694
<I/σ(I)>	12.78	1.57
Completeness [%]	88.0
Redundancy	11.4
CC(1/2)	0.990	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	Protein: 20mg/mL IP6: 10mM Precipitant conditions: 30% PEG 6K, 0.1M NaOAc pH 5, 0.2M LiCl, 1mM MgCl2 Ratio: 2:1