4W6E
Human Tankyrase 1 with small molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2012-04-20 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 80.774, 81.847, 83.309 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.390 - 1.950 |
| R-factor | 0.2071 |
| Rwork | 0.205 |
| R-free | 0.25410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.000 |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.380 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.467 | |
| Number of reflections | 20488 | |
| <I/σ(I)> | 11.2 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.82 | 5.31 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 1.4 Sodium Formate, 0.1 Sodium Acetate pH 5 |
