9RLP

PARP15 catalytic domain in complex with OUL310

This is a non-PDB format compatible entry.

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	2022-02-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96546
Spacegroup name	P 21 21 21
Unit cell lengths	45.210, 68.080, 156.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.477 - 1.800
Rwork	0.180
R-free	0.21190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.617
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	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.104	0.742
Rmeas	0.114	0.826
Number of reflections	45181	3201
<I/σ(I)>	10.15
Completeness [%]	98.7	97
Redundancy	5.6	5
CC(1/2)	0.996	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	20% (w/v) PEG 3350, 0.2 M ammonium chloride