9T4F

Human Diphosphoinositol Polyphosphate Phosphohydrolase 1 (DIPP1/NUDT3) E108N mutant

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	2024-03-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 65 2 2
Unit cell lengths	59.259, 59.259, 153.230
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.320 - 1.426
Rwork	0.186
R-free	0.21850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.146
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]	51.348	1.344
High resolution limit [Å]	1.321	1.321
Rpim	0.010	0.300
Number of reflections	37944	1806
<I/σ(I)>	34.3	2.2
Completeness [%]	98.8
Redundancy	37.1
CC(1/2)	1.000	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	289	Protein: 20 mg/mL Precipitant condition: 25% w/v PEG 1500, 0.1M SPG pH 9 Ratio: 1:1