4QRC
Crystal Structure of the Tyrosine Kinase Domain of FGF Receptor 4 in Complex with Ponatinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-26 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97907 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.722, 61.593, 60.311 |
| Unit cell angles | 90.00, 97.94, 90.00 |
Refinement procedure
| Resolution | 37.024 - 1.901 |
| R-factor | 0.1726 |
| Rwork | 0.170 |
| R-free | 0.20680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2psq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.130 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.900 |
| Rmerge | 0.075 |
| Number of reflections | 24319 |
| <I/σ(I)> | 41.8 |
| Completeness [%] | 99.2 |
| Redundancy | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 0.1 M MES (pH 5.5), 25% (w/v) PEG 4000, 0.15 M (NH4)2SO4 and 4% (v/v) Formamide, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
