9QFC
Tankyrase 2 ARC4 in complex with a pyrrolone-based inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 95.330, 95.330, 85.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.660 - 2.550 |
| R-factor | 0.2185 |
| Rwork | 0.216 |
| R-free | 0.26080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.420 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.620 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Number of reflections | 13415 | 976 |
| <I/σ(I)> | 7.2 | |
| Completeness [%] | 99.8 | |
| Redundancy | 5.75 | |
| CC(1/2) | 0.985 | 0.583 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 100 mM Citrate/Phosphate pH 4.2, 40% PEG 300 |
