8SWY

PARP4 ART domain bound to NADH

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	2021-06-29
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.12
Spacegroup name	C 2 2 21
Unit cell lengths	116.904, 151.699, 104.601
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.410 - 2.550
R-factor	0.2129
Rwork	0.211
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.299
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]	46.410	2.660
High resolution limit [Å]	2.550	2.550
Rmerge	0.063	1.426
Rmeas	0.067	1.509
Rpim	0.022	0.486
Total number of observations		35054
Number of reflections	58576	3729
<I/σ(I)>	19.6	1.6
Completeness [%]	100.0
Redundancy	9	9.4
CC(1/2)	0.999	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	21% PEG3350, 0.2M sodium citrate tribasic dihydrate, 1% ethylene glycol, 800uM NADH