8W38
TAS-120 covalent structure with FGFR2 molecular brake mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 80.252, 129.872, 131.423 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.600 |
| R-factor | 0.337 |
| Rwork | 0.336 |
| R-free | 0.35870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.918 |
| Data reduction software | SAINT |
| Data scaling software | SADABS (V8.40B) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.340 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.312 | 1.573 |
| Rmeas | 0.331 | 1.668 |
| Rpim | 0.110 | 0.549 |
| Number of reflections | 42997 | 4244 |
| <I/σ(I)> | 5.8 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.9 | 9.1 |
| CC(1/2) | 0.993 | 0.640 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 25% PEG 3350, 0.2M LiSO4, 0.1M HEPES pH 7.5 |
