6JOI
Crystal structure of PDGFRA T674I in complex with crenolanib by co-crystallization
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97776 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.757, 73.992, 103.706 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.022 - 3.100 |
| R-factor | 0.2235 |
| Rwork | 0.223 |
| R-free | 0.24380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5k5x |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.502 |
| Data reduction software | DENZO |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2400: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.340 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rpim | 0.067 | |
| Number of reflections | 7841 | |
| <I/σ(I)> | 13 | |
| Completeness [%] | 98.7 | |
| Redundancy | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M NaCl, 0.1M Tris pH 8.0, 15% PEG 4000 |
