4DQY

Structure of Human PARP-1 bound to a DNA double strand break

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	2011-03-25
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	65.095, 112.965, 294.724
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.250
R-factor	0.24156
Rwork	0.238
R-free	0.30414
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.950
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0119)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.250
Number of reflections	33644
Completeness [%]	94.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	7% Peg 3350, 10% ethylene glycol, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K