9T49

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 61
Unit cell lengths	99.149, 99.149, 34.154
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.570 - 1.500
Rwork	0.153
R-free	0.17920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.144
Data reduction software	autoPROC (1.0.5)
Data scaling software	autoPROC (1.0.5)
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.570	1.530
High resolution limit [Å]	1.500	1.500
Rpim	0.040	0.400
Number of reflections	29778	1454
<I/σ(I)>	15.3	2.2
Completeness [%]	96.7
Redundancy	20.8
CC(1/2)	0.990	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	Protein: 20.4 PCP-IP8: 5mM Precipitant condition: 27% PEG 6K, 0.1M NaOAc pH 5, 0.2M LiCl, 10mM MgCl2 Ratio: 1:1