6HXS

Human PARP16 (ARTD15) IN COMPLEX WITH CARBA-NAD

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	2015-12-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97630
Spacegroup name	P 43 21 2
Unit cell lengths	147.890, 147.890, 100.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.820 - 2.050
R-factor	0.198
Rwork	0.197
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f0d
RMSD bond length	0.010
RMSD bond angle	0.960
Data reduction software	xia2
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.820	2.100
High resolution limit [Å]	2.050	2.050
Rmerge	0.166	2.501
Rmeas	0.172	2.635
Number of reflections	70027	5104
<I/σ(I)>	15.5	1.5
Completeness [%]	100.0	100
Redundancy	26.4	23.1
CC(1/2)	0.999	0.582

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	16% Poly(ethylene glycol) 3350, 0.4M sodium sulfate, 3mM Carba-NAD