8XLO
FGFR1 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 | 2020-05-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 209.210, 57.480, 66.410 |
Unit cell angles | 90.00, 107.86, 90.00 |
Refinement procedure
Resolution | 46.683 - 2.360 |
R-factor | 0.2101 |
Rwork | 0.208 |
R-free | 0.25450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7wcl |
RMSD bond length | 0.003 |
RMSD bond angle | 0.647 |
Data reduction software | DIALS |
Data scaling software | EVAL15 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.683 | 2.444 |
High resolution limit [Å] | 2.360 | 2.360 |
Rmerge | 0.071 | 1.112 |
Rmeas | 0.077 | 1.201 |
Number of reflections | 31130 | 3091 |
<I/σ(I)> | 14.79 | 2.12 |
Completeness [%] | 99.6 | 99.87 |
Redundancy | 6.7 | 7.1 |
CC(1/2) | 0.999 | 0.801 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 18% (w/v) PEG 8000, 0.2 M Li2SO4, and 0.1 M MES, pH 6.5 |