4RWJ
Crystal Structure of FGFR1 (C488A, C584S) in complex with AZD4547 (N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2014-06-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.075 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 211.674, 50.148, 66.850 |
Unit cell angles | 90.00, 107.41, 90.00 |
Refinement procedure
Resolution | 40.217 - 2.489 |
R-factor | 0.2042 |
Rwork | 0.200 |
R-free | 0.25000 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4rwi |
RMSD bond length | 0.002 |
RMSD bond angle | 0.652 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.530 |
High resolution limit [Å] | 2.489 | 6.750 | 2.490 |
Rmerge | 0.029 | 0.342 | |
Number of reflections | 23609 | ||
<I/σ(I)> | 23.397 | ||
Completeness [%] | 99.0 | 99.7 | 96.9 |
Redundancy | 3.7 | 3.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 277 | 0.1 M sodium cacodylate pH 6.4, 22% PEG 8000, 0.2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 277K |