9RLO

PARP15 catalytic domain in complex with OUL250

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	2021-02-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.965459
Spacegroup name	P 21 21 21
Unit cell lengths	45.400, 68.880, 160.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.732 - 1.900
Rwork	0.182
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.609
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	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.093	0.628
Rmeas	0.106	0.719
Number of reflections	40283	2922
<I/σ(I)>	9.41
Completeness [%]	99.0	99.5
Redundancy	4.1	4.33
CC(1/2)	0.996	0.684

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