7Z41

PARP15 catalytic domain in complex with OUL209

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	45.300, 68.630, 158.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.600 - 2.100
R-factor	0.1939
Rwork	0.192
R-free	0.23220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3blj
RMSD bond length	0.007
RMSD bond angle	1.481
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	2.150
High resolution limit [Å]	2.100	2.100
Number of reflections	29760	2184
<I/σ(I)>	6.68
Completeness [%]	99.9
Redundancy	6.7
CC(1/2)	0.994	0.785

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