32HC

PARP9 Macro Domain 2 P347G mutant in complex with ADPr

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-05-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9655
Spacegroup name	P 43 21 2
Unit cell lengths	52.398, 52.398, 132.335
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.770 - 1.400
R-factor	0.12882
Rwork	0.127
R-free	0.16045
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.853
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	132.340	1.430
High resolution limit [Å]	1.400	1.400
Number of reflections	37331	1946
<I/σ(I)>	17.2
Completeness [%]	100.0
Redundancy	20
CC(1/2)	0.999	0.645

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2 M Sodium nitrate, BTP buffer, 20 % w/v PEG 3350