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 |