7R5D

PARP15 catalytic domain in complex with OUL234

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.96546
Spacegroup name	P 21 21 21
Unit cell lengths	45.370, 68.800, 160.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.710 - 2.150
R-factor	0.2049
Rwork	0.203
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3blj
RMSD bond length	0.007
RMSD bond angle	1.496
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	27222	1843
<I/σ(I)>	14.5
Completeness [%]	96.4
Redundancy	3.7
CC(1/2)	0.997	0.935

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