5FPF
Crystal structure of human tankyrase 2 in complex with TA-91
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-31 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.600, 76.080, 149.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.415 - 2.600 |
| R-factor | 0.2165 |
| Rwork | 0.213 |
| R-free | 0.27160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u9y |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.097 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.300 | |
| Number of reflections | 14363 | |
| <I/σ(I)> | 7.2 | 1.04 |
| Completeness [%] | 94.3 | 97.2 |
| Redundancy | 7.1 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.1M BICINE PH 9.0, 16% PEG6000 |
