4RWL
Crystal structure of FGFR1 (C488A, C584C) in complex with 6-(7-((1-aminocyclopropyl) methoxy)-6-methoxyquinolin-4-yloxy)-N-methyl-1-naphthamide (E3810)
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 | 2014-08-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.075 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 207.166, 57.860, 65.658 |
Unit cell angles | 90.00, 107.19, 90.00 |
Refinement procedure
Resolution | 32.986 - 2.193 |
R-factor | 0.2093 |
Rwork | 0.207 |
R-free | 0.25550 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4nka |
RMSD bond length | 0.009 |
RMSD bond angle | 1.080 |
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 | 2.230 |
High resolution limit [Å] | 2.190 | 5.940 | 2.190 |
Rmerge | 0.062 | 0.371 | |
Number of reflections | 38180 | ||
<I/σ(I)> | 31.88 | ||
Completeness [%] | 99.1 | 93.7 | 90 |
Redundancy | 3.7 | 3.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | 0.1 M sodium cacodylate pH 6.6, 34% PEG 8000, 0.2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |