2RIQ
Crystal Structure of the Third Zinc-binding domain of human PARP-1
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-12 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1, 1.28 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 71.841, 85.652, 67.758 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.18077 |
| Rwork | 0.178 |
| R-free | 0.23000 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.460 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.048 | 0.380 |
| Number of reflections | 22986 | |
| <I/σ(I)> | 34.8 | 3.6 |
| Completeness [%] | 98.3 | 84.6 |
| Redundancy | 8 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 20% ethanol, 100 mM Tris-HCl pH 8.5, 25 mM NaCl, and 0.5 mM TCEP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
