3OD8

Human PARP-1 zinc finger 1 (Zn1) bound to DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	63.219, 107.696, 86.138
Unit cell angles	90.00, 100.20, 90.00

Refinement procedure

Resolution	42.609 - 2.400
R-factor	0.1941
Rwork	0.192
R-free	0.24100
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.269
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	PHENIX (1.6.1_357)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.138	0.073	0.706
Number of reflections	44580
<I/σ(I)>	8
Completeness [%]	100.0	99.8	100
Redundancy	8.3	8.3	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	298	30% PEG 3350, 100 mM NaAcetate, 100 mM Tris pH 8.5, 0.1 mM TCEP, 20% ethylene glycol, vapor diffusion, temperature 298K