7KKN
Structure of the catalytic domain of tankyrase 1 in complex with talazoparib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 98 |
| Detector technology | PIXEL |
| Collection date | 2018-12-10 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.660, 113.860, 83.350 |
| Unit cell angles | 90.00, 91.03, 90.00 |
Refinement procedure
| Resolution | 21.520 - 1.480 |
| R-factor | 0.186 |
| Rwork | 0.184 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rf5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.300 | 1.608 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Number of reflections | 110073 | 5453 |
| <I/σ(I)> | 13.8 | |
| Completeness [%] | 87.1 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.998 | 0.606 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | Buffer: 0.1 M MES (pH 6.50) Precipitant: 15.0 %w/v PEG 8000 Precipitant: 40.0 %v/v iso-propanol |
