4WUN
Structure of FGFR1 in complex with AZD4547 (N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE) at 1.65 angstrom
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 65.486, 50.517, 201.280 |
Unit cell angles | 90.00, 91.23, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.650 |
R-factor | 0.22621 |
Rwork | 0.225 |
R-free | 0.24678 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nk9 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.414 |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 79263 | |
<I/σ(I)> | 9.1 | 4.3 |
Completeness [%] | 99.8 | 96.4 |
Redundancy | 8.3 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20% MPEG 5000, 0.1 M sodium cacodylate pH 7.5, 0.2 M ammonium sulfate | |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20% MPEG 5000, 0.1 M sodium cacodylate pH 7.5, 0.2 M ammonium sulfate |