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 |