5LYH

Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor H10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97999
Spacegroup name	P 31 2 1
Unit cell lengths	83.032, 83.032, 122.080
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.500 - 2.170
R-factor	0.19703
Rwork	0.195
R-free	0.21783
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f1l
RMSD bond length	0.015
RMSD bond angle	1.751
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.500	2.300
High resolution limit [Å]	2.170	2.170
Rmerge	0.096	1.130
Number of reflections	26408
<I/σ(I)>	14	2
Completeness [%]	99.7	98.2
Redundancy	9.5	8.6
CC(1/2)	0.998	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	293	22.5% PEG3350, 0.225M Sodium malonate