9T4A

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	34.861, 65.512, 77.482
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.020 - 1.697
Rwork	0.170
R-free	0.21000
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.756
Data reduction software	autoPROC (1.0.5)
Data scaling software	autoPROC (1.0.5)
Phasing software	REFMAC (5.8.0419)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.020	1.726
High resolution limit [Å]	1.690	1.690
Rpim	0.020	0.340
Number of reflections	20308	1008
<I/σ(I)>	20.6	2.2
Completeness [%]	100.0
Redundancy	12.9
CC(1/2)	0.990	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	Protein: 20.4 mg/mL PCP-IP8: 10mM Precipitant condition: 26% PEG 6K, 0.1M NaOAc pH 5, 0.2M LiCl, 10mM MgCl2 Ratio: 1:1