7Z1Y

PARP15 catalytic domain in complex with OUL245

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	2021-02-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.96546
Spacegroup name	P 21 21 21
Unit cell lengths	45.230, 68.330, 158.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.530 - 1.750
R-factor	0.2278
Rwork	0.226
R-free	0.26290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3blj
RMSD bond length	0.009
RMSD bond angle	1.581
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	1.800
High resolution limit [Å]	1.750	1.750
Number of reflections	50369	3652
<I/σ(I)>	12.6
Completeness [%]	99.6
Redundancy	6.3
CC(1/2)	0.998	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M ammonium chloride pH 7.5, 16-20% PEG 3350