8SX2

PARP4 catalytic domain bound to EB47

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1158
Spacegroup name	P 21 21 21
Unit cell lengths	61.905, 72.265, 160.978
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 2.950
R-factor	0.2178
Rwork	0.215
R-free	0.26160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.099
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.930	3.130
High resolution limit [Å]	2.950	2.950
Rmerge	0.203	2.235
Rmeas	0.211	2.316
Rpim	0.056	0.600
Total number of observations		36612
Number of reflections	29266	2510
<I/σ(I)>	11.6	1.4
Completeness [%]	100.0
Redundancy	14.2	14.6
CC(1/2)	0.998	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	23% PEG3350, 0.1 M Bis-Tris pH 6.5, 0.2 M MgCl2, and 600 uM EB47