3ODC
Human PARP-1 zinc finger 2 (Zn2) bound to DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-18 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.99 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 63.731, 63.731, 192.405 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.262 - 2.800 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.23980 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.305 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | PHENIX (1.6.2_432) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
Rmerge | 0.092 | 0.036 | 0.717 |
Number of reflections | 11845 | ||
<I/σ(I)> | 8.3 | ||
Completeness [%] | 99.9 | 98.7 | 100 |
Redundancy | 8.1 | 7.1 | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 298 | 1.36-1.42 M sodium citrate pH 6.5, vapor diffusion, temperature 298K |