4F1L
Human Artd8 (Parp14, Bal2) - catalytic domain in complex with inhibitor A16(Z)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-19 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.649, 81.894, 83.187 |
| Unit cell angles | 60.12, 78.32, 80.31 |
Refinement procedure
| Resolution | 34.890 - 1.900 |
| R-factor | 0.1988 |
| Rwork | 0.197 |
| R-free | 0.23939 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3smi |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.652 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.066 | 0.521 |
| Number of reflections | 67716 | |
| <I/σ(I)> | 12.1 | 3.8 |
| Completeness [%] | 96.7 | 95.7 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 293 | 20% (w/v) polyethylene glycol (PEG) 3350, 0.2 M sodium nitrate, 0.1 M Bis-Tris, 1.3mM A16, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
