9T4D

Human Diphosphoinositol Polyphosphate Phosphohydrolase 1 (DIPP1) R41A mutant in complex with 5-(PP)-IP5 (5-IP7)

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	2024-04-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 61
Unit cell lengths	99.950, 99.950, 34.469
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	86.559 - 1.500
Rwork	0.163
R-free	0.18480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.963
Data reduction software	xia2 (3.9.0)
Data scaling software	xia2 (3.9.0)
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.560	1.530
High resolution limit [Å]	1.500	1.500
Rpim	0.050	1.550
Number of reflections	31754	1459
<I/σ(I)>	9.7	0.4
Completeness [%]	99.8
Redundancy	16.7
CC(1/2)	0.990	0.250

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	Protein: 20mg/mL Precipitant condition: 29% PEG 6K, 0.1M NaOAc pH 5, 0.2M LiCl, 10mM MgCl2, 20mM NaF Ratio: 1:1