8W3D
TAS-120 covalent structure with FGFR2 molecular brake mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-24 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.12713 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.130, 129.867, 132.385 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.000 - 2.040 |
| R-factor | 0.2197 |
| Rwork | 0.219 |
| R-free | 0.25030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.022 |
| Data reduction software | SAINT |
| Data scaling software | SAINT (V8.40B) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.300 | 2.110 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.149 | 1.730 |
| Rmeas | 0.155 | 1.808 |
| Rpim | 0.043 | 0.519 |
| Number of reflections | 89461 | 8792 |
| <I/σ(I)> | 8.2 | 1.5 |
| Completeness [%] | 99.9 | 99.84 |
| Redundancy | 12.9 | 11.87 |
| CC(1/2) | 0.998 | 0.798 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.2 M Lithium sulfate 0.1 M Bis-Tris 6.5 25 % w/v PEG 3350 |
