3FQH
Crystal structure of spleen tyrosine kinase complexed with a 2-substituted 7-azaindole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.156, 41.949, 87.604 |
| Unit cell angles | 80.78, 90.78, 79.59 |
Refinement procedure
| Resolution | 50.000 - 2.260 |
| R-factor | 0.21623 |
| Rwork | 0.214 |
| R-free | 0.25901 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1xbb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.317 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 24069 | |
| <I/σ(I)> | 14.2 | 2.1 |
| Completeness [%] | 92.4 | 62.5 |
| Redundancy | 1.9 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 283 | 25% PEG 4000, 0.2M AMMONIUM SULFATE, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 283K |
