4UW1
X-ray crystal structure of human TNKS in complex with a small molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 1 |
| Unit cell lengths | 80.589, 82.312, 86.727 |
| Unit cell angles | 71.38, 67.31, 89.51 |
Refinement procedure
| Resolution | 46.923 - 3.370 |
| R-factor | 0.2688 |
| Rwork | 0.266 |
| R-free | 0.32180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r5f |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.474 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.920 | 3.570 |
| High resolution limit [Å] | 3.370 | 3.370 |
| Rmerge | 0.090 | 1.120 |
| Number of reflections | 27052 | |
| <I/σ(I)> | 3.5 | 1.3 |
| Completeness [%] | 99.1 | 98.6 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 0.1M MES PH 6.0, 0.1M AMMONIUM TATRATE, 12-16% PEG 3350 |
