7PWW

PARP15 catalytic domain in complex with OUL224

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	45.400, 68.620, 160.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.720 - 2.150
R-factor	0.1845
Rwork	0.182
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3blj
RMSD bond length	0.006
RMSD bond angle	1.338
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	2.210
High resolution limit [Å]	2.150	2.150
Number of reflections	27868	1894
<I/σ(I)>	12.95
Completeness [%]	99.4
Redundancy	6.1
CC(1/2)	0.998	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M ammonium chloride pH 7.5, 20% PEG 3350