6EK3

PARP15 CATALYTIC DOMAIN MUTANT (Y598L) IN COMPLEX WITH OUL35

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96770
Spacegroup name	P 21 21 21
Unit cell lengths	45.200, 68.890, 161.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.530 - 1.600
R-factor	0.18478
Rwork	0.183
R-free	0.21029
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3blj
RMSD bond length	0.013
RMSD bond angle	1.587
Data reduction software	XSCALE
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.640
High resolution limit [Å]	1.600	1.600
Rmeas	0.073	0.811
Number of reflections	67204	4905
<I/σ(I)>	13.21	2.09
Completeness [%]	93.7	99.8
Redundancy	5.6
CC(1/2)	0.999	0.737

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M NH4Cl pH 7.5, 20% (w/v) PEG 3350