4L6Z
Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1168
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-07-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99190 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.269, 56.804, 56.626 |
| Unit cell angles | 90.00, 112.59, 90.00 |
Refinement procedure
| Resolution | 28.400 - 2.000 |
| R-factor | 0.16393 |
| Rwork | 0.162 |
| R-free | 0.20953 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gv4 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.506 |
| 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] | 30.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.120 | 0.620 |
| Number of reflections | 22044 | |
| <I/σ(I)> | 16.2 | 3.6 |
| Completeness [%] | 99.7 | 98.9 |
| Redundancy | 7.4 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.7M DL-Malic Acid, 0.1M Bis-tris-propane , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
