9W1A
Crystal structure of FGFR1 with a macrocyclic compound XS8148
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2025-05-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 211.350, 49.780, 66.540 |
| Unit cell angles | 90.00, 107.48, 90.00 |
Refinement procedure
| Resolution | 46.920 - 1.960 |
| R-factor | 0.1975 |
| Rwork | 0.195 |
| R-free | 0.24480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.920 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.112 | 0.982 |
| Number of reflections | 47054 | 4422 |
| <I/σ(I)> | 11.89 | 2.2 |
| Completeness [%] | 98.3 | |
| Redundancy | 5.7 | |
| CC(1/2) | 0.997 | 0.653 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 20% (w/v) PEG 8000, 0.2 M Li2SO4, and 0.1 M MES, pH 6.5 |
