4F0D

Human ARTD15/PARP16 IN COMPLEX WITH 3-AMINOBENZAMIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-10
Detector	RAYONIX MX-225
Wavelength(s)	0.94861
Spacegroup name	C 2 2 21
Unit cell lengths	117.824, 195.349, 60.412
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.630 - 2.700
R-factor	0.2483
Rwork	0.246
R-free	0.28710
Structure solution method	MIRAS
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	autoSHARP
Refinement software	BUSTER (2.11.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.072	0.819
<I/σ(I)>	25.3	2.7
Completeness [%]	99.9	100
Redundancy	7.8	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.6	293	22% PEG 3350, 200 mM di-ammonium tartrate, 0.2 M NaCl, 20% glycerol, pH 6.6, VAPOR DIFFUSION, temperature 293K