6MZQ
TAS-120 in reversible binding mode with FGFR1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-01-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 208.800, 49.157, 64.684 |
| Unit cell angles | 90.00, 106.10, 90.00 |
Refinement procedure
| Resolution | 47.330 - 2.000 |
| R-factor | 0.19606 |
| Rwork | 0.194 |
| R-free | 0.22984 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ur1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.414 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 41723 | 2849 |
| <I/σ(I)> | 12.7 | 2.2 |
| Completeness [%] | 97.8 | 90.4 |
| Redundancy | 7 | 6.9 |
| CC(1/2) | 0.999 | 0.926 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | MPEG 5000, sodium cacodylate, ammonium sulfate |
