4L7O
Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1542
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) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.519, 56.918, 56.840 |
| Unit cell angles | 90.00, 112.43, 90.00 |
Refinement procedure
| Resolution | 28.460 - 2.000 |
| R-factor | 0.1652 |
| Rwork | 0.163 |
| R-free | 0.20996 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gv4 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.677 |
| 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 | 0.126 | 0.674 |
| Number of reflections | 21888 | |
| <I/σ(I)> | 15.9 | 3.7 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 7.4 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.8M DL-Malic Acid, 0.1M Bis-tris-propane , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
