7OJO
Tankyrase 2 in complex with two small molecule fragments
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-09 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.965459 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.645, 76.386, 148.875 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.549 - 2.300 |
| Rwork | 0.232 |
| R-free | 0.27690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nob |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.198 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 148.880 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 21934 | 2067 |
| <I/σ(I)> | 5.9 | |
| Completeness [%] | 99.9 | |
| Redundancy | 24.4 | |
| CC(1/2) | 0.981 | 0.728 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 100mM Tris pH=8.5, 200 mM Li2SO4, 24% PEG3350 |
