6JPE
Crystal structure of FGFR4 kinase domain with irreversible inhibitor 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 85 |
| Detector technology | CCD |
| Collection date | 2018-01-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.502, 61.126, 61.412 |
| Unit cell angles | 90.00, 99.10, 90.00 |
Refinement procedure
| Resolution | 31.890 - 1.601 |
| R-factor | 0.1535 |
| Rwork | 0.152 |
| R-free | 0.18290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qrc |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.133 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.890 | 1.658 |
| High resolution limit [Å] | 1.600 | 1.601 |
| Rmerge | 0.075 | 0.255 |
| Rmeas | 0.081 | |
| Number of reflections | 40751 | 4092 |
| <I/σ(I)> | 16.46 | 5.5 |
| Completeness [%] | 99.5 | 99.98 |
| Redundancy | 6.8 | 6.9 |
| CC(1/2) | 0.991 | 0.976 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M MES pH 5.5, 18% PEG4K, 0.15 M (NH4)2SO4, and 4% (v/v) formamide |
