8XLQ
FGFR4 kinase domain with a dual-warhead covalent inhibitor CXF-007
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2019-11-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.880, 61.100, 61.060 |
| Unit cell angles | 90.00, 97.98, 90.00 |
Refinement procedure
| Resolution | 60.468 - 1.950 |
| R-factor | 0.1708 |
| Rwork | 0.167 |
| R-free | 0.21060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7v29 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | XDS |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.470 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.088 | 0.554 |
| Number of reflections | 22227 | 2210 |
| <I/σ(I)> | 14.1 | 2.47 |
| Completeness [%] | 99.2 | 97.91 |
| Redundancy | 6.3 | 4.3 |
| CC(1/2) | 0.996 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 0.1 M Bis-Tris (pH 4.5), 0.2 M Li2SO4, 16-20% PEG3350 |
