7PWP

PARP15 catalytic domain in complex with OUL221

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	2020-02-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	45.560, 68.730, 161.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.410 - 2.100
R-factor	0.2033
Rwork	0.201
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7oth
RMSD bond length	0.009
RMSD bond angle	1.569
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

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	30010	2053
<I/σ(I)>	15.5
Completeness [%]	98.5
Redundancy	6.7
CC(1/2)	0.999	0.864

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