4V01
FGFR1 in complex with ponatinib (co-crystallisation).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-02 |
| Detector | SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 207.255, 58.090, 65.231 |
| Unit cell angles | 90.00, 107.38, 90.00 |
Refinement procedure
| Resolution | 98.890 - 2.330 |
| R-factor | 0.1912 |
| Rwork | 0.189 |
| R-free | 0.23780 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.890 | 2.450 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.033 | 0.200 |
| Number of reflections | 30021 | |
| <I/σ(I)> | 18.2 | 5 |
| Completeness [%] | 94.2 | 83.7 |
| Redundancy | 2.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20% PEG8000, 20MM AMMONIUM SULPHATE, 20% ETHYLENE GLYCOL, 100MM PCTP PH6.75 |
