5AEH
Crystal structure of human tankyrase 2 in complex with OD332
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-16 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.130, 76.070, 147.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.850 - 1.850 |
| R-factor | 0.21877 |
| Rwork | 0.216 |
| R-free | 0.27066 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u9h |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.730 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.190 | |
| Number of reflections | 40278 | |
| <I/σ(I)> | 9.7 | 1.2 |
| Completeness [%] | 99.3 | 99 |
| Redundancy | 6.5 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 0.1M BICINE PH9.0, 20% PEG6K |
