3JS2
Crystal structure of minimal kinase domain of fibroblast growth factor receptor 1 in complex with 5-(2-thienyl)nicotinic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 207.799, 58.304, 66.248 |
Unit cell angles | 90.00, 107.36, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.216 |
Rwork | 0.216 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1frk |
RMSD bond length | 0.009 |
RMSD bond angle | 1.440 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.070 | 0.345 |
Number of reflections | 38172 | |
<I/σ(I)> | 27.9 | 27.9 |
Completeness [%] | 98.6 | 97.9 |
Redundancy | 7.5 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.2M Ammonium sulfate, 0.1M MES pH 6.5, 15% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |