4RTX
Crystal structure of the Src tyrosine kinase SH3 domain T96G/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 | 2013-03-14 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.979491 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.091, 49.966, 59.845 |
| Unit cell angles | 90.00, 95.51, 90.00 |
Refinement procedure
| Resolution | 34.731 - 1.320 |
| R-factor | 0.1728 |
| Rwork | 0.171 |
| R-free | 0.20690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jz4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.550 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.1.30) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.910 | 39.910 | 1.340 |
| High resolution limit [Å] | 1.320 | 7.230 | 1.320 |
| Rmerge | 0.106 | 0.069 | 0.579 |
| Total number of observations | 1116 | 8570 | |
| Number of reflections | 54530 | ||
| <I/σ(I)> | 7.2 | 12.5 | 2.5 |
| Completeness [%] | 98.5 | 97.6 | 96.9 |
| Redundancy | 3.2 | 3.1 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M Hepes, 1.4M ammonium sulphate, 5mM NiCl2, 5mM Methyl beta cyclodextrin, 5mM Glicine, pH 7.5, vapor diffusion, hanging drop, temperature 298K |
