4NKS
Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with pyrazolaminopyrimidine 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 208.058, 56.918, 66.242 |
| Unit cell angles | 90.00, 107.73, 90.00 |
Refinement procedure
| Resolution | 99.010 - 2.500 |
| R-factor | 0.22251 |
| Rwork | 0.220 |
| R-free | 0.27762 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.460 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.010 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.080 | 0.442 |
| Number of reflections | 23909 | |
| <I/σ(I)> | 19.4 | 3.8 |
| Completeness [%] | 97.4 | 98.5 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.75 | 277.15 | 16-20% PEG 8000, 100mM PCTP, 100-300mM ammonium sulfate, 25% ethylene glycol, pH 6.75, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |
