7R4A

PARP15 catalytic domain in complex with OUL188

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	2018-11-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979957
Spacegroup name	P 21 21 21
Unit cell lengths	45.460, 68.740, 159.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.750 - 1.900
R-factor	0.2348
Rwork	0.233
R-free	0.27180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3blj
RMSD bond length	0.009
RMSD bond angle	1.528
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.950
High resolution limit [Å]	1.900	1.900
Number of reflections	40198	2893
<I/σ(I)>	8.1
Completeness [%]	99.9
Redundancy	6.4
CC(1/2)	0.996	0.462

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M ammonium chloride pH 7.5, 16 - 20% (w/v) PEG 3350