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 |