3QLF
Crystal structure of the L317I mutant of the C-src tyrosine kinase domain complexed with pyrazolopyrimidine 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.268, 63.495, 73.451 |
| Unit cell angles | 79.48, 90.09, 89.41 |
Refinement procedure
| Resolution | 32.945 - 2.750 |
| R-factor | 0.1944 |
| Rwork | 0.192 |
| R-free | 0.23230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3oez |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.825 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.2_432)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.945 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.165 | 0.761 |
| Number of reflections | 18749 | |
| <I/σ(I)> | 10.3 | 2.22 |
| Completeness [%] | 96.0 | 95.2 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 287 | 7mg/ml cSRcL317I, 0.5mM pyrazolopyrimidine 5, 0.1M MES, 0.2M sodium acetate, 4% glycerol, 12% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
