4AV1
Crystal structure of the human PARP-1 DNA binding domain in complex with DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-25 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 163.978, 59.504, 61.582 |
| Unit cell angles | 90.00, 101.18, 90.00 |
Refinement procedure
| Resolution | 44.353 - 3.100 |
| R-factor | 0.2305 |
| Rwork | 0.230 |
| R-free | 0.24870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | B-FORM DNA DUPLEX GENERATED IN COOT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.664 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.350 | 3.270 |
| High resolution limit [Å] | 2.770 | 3.100 |
| Rmerge | 0.130 | 0.470 |
| Number of reflections | 9910 | |
| <I/σ(I)> | 4.43 | 1.51 |
| Completeness [%] | 92.2 | 95.3 |
| Redundancy | 3.54 | 3.62 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 50 MM MES PH 6.5, 6% W/V PEG 1500, 5 MM DTT |
