5I11
Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain T114S-Q128R mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 46.735, 46.735, 127.907 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.988 - 1.950 |
| R-factor | 0.1889 |
| Rwork | 0.187 |
| R-free | 0.21820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jz3 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.669 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.990 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.064 | 0.754 |
| Number of reflections | 11377 | |
| <I/σ(I)> | 27.8 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12.6 | 13.3 |
| CC(1/2) | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 0.1M SODIUM ACETATE, 1.9M AMMONIUM SULPHATE, 5% PEG 400, 10% GLYCEROL, PH 5.0 |
