7Z2Q

PARP15 catalytic domain in complex with OUL232

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	2020-11-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96546
Spacegroup name	P 21 21 21
Unit cell lengths	45.240, 68.670, 159.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.570 - 2.000
R-factor	0.1942
Rwork	0.193
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3blj
RMSD bond length	0.006
RMSD bond angle	1.419
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	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	34370	2523
<I/σ(I)>	6.3
Completeness [%]	99.4
Redundancy	4
CC(1/2)	0.989	0.702

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