6FXI

Human PARP10 (ARTD10), catalytic fragment in complex with 3-aminobenzamide and citrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	51.600, 86.600, 57.460
Unit cell angles	90.00, 104.98, 90.00

Refinement procedure

Resolution	49.850 - 2.600
R-factor	0.212
Rwork	0.210
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lx6
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.850	2.710
High resolution limit [Å]	2.600	2.600
Rmerge	0.223	0.737
Rmeas	0.242	0.797
Number of reflections	15114	1747
<I/σ(I)>	7.9
Completeness [%]	98.8	100
Redundancy	6.9	6.9
CC(1/2)	0.985	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	16% PEG3350, 0.1 M Citrate-Bis-Tris-Propane, 3 mM 3-aminobenzamide