9FRS

Human PARP10 ART domain bound to a phthalazinone-based inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	51.197, 87.512, 57.524
Unit cell angles	90.00, 104.19, 90.00

Refinement procedure

Resolution	34.450 - 2.020
R-factor	0.18581
Rwork	0.184
R-free	0.22403
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.580
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.760	55.760	2.050
High resolution limit [Å]	2.020	5.470	2.020
Rmerge	0.169	0.081	1.550
Rmeas	0.186	0.088	1.761
Number of reflections	31714	1680	1577
<I/σ(I)>	6.4
Completeness [%]	97.5
Redundancy	5.7
CC(1/2)	0.985	0.991	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.586 M NaCl 0.05M MgSO4 0.05M MES pH 6