7OSX

PARP15 catalytic domain in complex with OUL205

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	2019-10-12
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	45.370, 68.760, 161.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.710 - 1.600
R-factor	0.199
Rwork	0.198
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3blj
RMSD bond length	0.008
RMSD bond angle	1.449
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	1.640
High resolution limit [Å]	1.600	1.600
Number of reflections	66336	4810
<I/σ(I)>	15.41
Completeness [%]	98.3
Redundancy	10.97
CC(1/2)	0.998	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	0.2 M ammonium chloride pH 7.5, 18% (w/v) PEG 3350