9T4B

Human Diphosphoinositol Polyphosphate Phosphohydrolase 1 (DIPP1) R89S mutant in complex with 1,5-(PCP)-IP5 (PCP-IP8)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-23
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.87313
Spacegroup name	P 21 21 21
Unit cell lengths	34.514, 65.232, 78.543
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.182 - 1.630
Rwork	0.183
R-free	0.21830
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.919
Data reduction software	autoPROC
Data scaling software	Aimless (0.7.13)
Phasing software	REFMAC (5.8.0431)
Refinement software	REFMAC (5.8.0431)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.540	1.660
High resolution limit [Å]	1.630	1.630
Rpim	0.030	0.727
Number of reflections	21427	1082
<I/σ(I)>	13	1.2
Completeness [%]	93.7
Redundancy	11.8
CC(1/2)	0.998	0.519

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	Protein: 21.5mg/mL PCP-IP8: 10mM Precipitant condition: 26% PEG 6K, 0.1M NaOAc pH 5, 0.2M LiCl, 1mM MgCl2 Ratio: 1:1