4UUH
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 I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-29 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 81.320, 80.890, 83.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.800 - 2.520 |
| R-factor | 0.1688 |
| Rwork | 0.166 |
| R-free | 0.21760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r5f |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.800 | 2.620 |
| High resolution limit [Å] | 2.520 | 2.520 |
| Rmerge | 0.070 | 0.620 |
| Number of reflections | 9367 | |
| <I/σ(I)> | 11.6 | 2 |
| Completeness [%] | 98.4 | 99.5 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 0.1 M MES PH 6.0, 0.1 M AMMONIUM TARTARATE, 12-16% W/V PEG 3350 |
