32HB

PARP9 Macro Domain 2 P347G mutant, Free form

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 1 21 1
Unit cell lengths	53.988, 73.917, 58.432
Unit cell angles	90.00, 117.26, 90.00

Refinement procedure

Resolution	52.000 - 1.900
R-factor	0.18603
Rwork	0.184
R-free	0.21754
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.752
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]	73.920	1.940
High resolution limit [Å]	1.900	1.900
Number of reflections	32263	2059
<I/σ(I)>	11.8
Completeness [%]	100.0
Redundancy	6.9
CC(1/2)	0.999	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M NPS, 0.1 M Imidazole/MES buffer, 12.5% v/v MPD; 12.5% PEG 1000; 12.5% w/v PEG 3350