5UQ0
FGFR1 kinase domain complex with fragment 2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxamide
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 | 2016-05-16 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 211.773, 51.146, 65.746 |
| Unit cell angles | 90.00, 107.33, 90.00 |
Refinement procedure
| Resolution | 19.760 - 2.300 |
| R-factor | 0.23744 |
| Rwork | 0.234 |
| R-free | 0.29351 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wun |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.522 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rpim | 0.030 | 0.638 |
| Number of reflections | 29906 | 2701 |
| <I/σ(I)> | 18.4 | 1.3 |
| Completeness [%] | 98.9 | 92.1 |
| Redundancy | 14.6 | 11.2 |
| CC(1/2) | 0.999 | 0.655 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20% MPEG 5000, 0.1 M sodium cacodylate pH 7.5, 0.2 M ammonium sulfate |
