5OAV
High resolution crystal structure of the c-Src-SH3 domain mutant E93V in complex with the high affinity synthetic peptide APP12: monoclinic crystal
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 | 2016-10-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97948 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 83.804, 31.801, 61.634 |
| Unit cell angles | 90.00, 127.83, 90.00 |
Refinement procedure
| Resolution | 19.798 - 0.950 |
| R-factor | 0.1416 |
| Rwork | 0.141 |
| R-free | 0.15950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rtw |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.958 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.28) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.800 | 19.800 | 0.970 |
| High resolution limit [Å] | 0.950 | 5.200 | 0.950 |
| Rmerge | 0.069 | 0.065 | 0.425 |
| Rmeas | 0.072 | 0.069 | 0.506 |
| Rpim | 0.021 | 0.020 | 0.268 |
| Total number of observations | 905208 | ||
| Number of reflections | 77638 | ||
| <I/σ(I)> | 17.6 | ||
| Completeness [%] | 95.7 | 97.5 | 57.7 |
| Redundancy | 11.7 | 12.4 | 3.3 |
| CC(1/2) | 0.998 | 0.998 | 0.819 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 1.6 M Ammonium sulphate, 0.1 M sodium acetate, 5 mM lithium chloride and 10% Glycerol |
