9T4I

Human Diphosphoinositol Polyphosphate Phosphohydrolase 1 (DIPP1) R89S 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	2023-04-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87313
Spacegroup name	P 21 21 21
Unit cell lengths	34.288, 65.483, 78.949
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.470 - 1.408
Rwork	0.170
R-free	0.21130
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.900
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]	39.470	1.510
High resolution limit [Å]	1.400	1.400
Rpim	0.040	0.483
Number of reflections	28543	1427
<I/σ(I)>	11.1	1.4
Completeness [%]	94.1
Redundancy	12.6
CC(1/2)	0.990	0.673

Crystallization Conditions

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