5IHI
Crystal Structure of the alpha spectrin SH3 domain double mutant V46G-D48G
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 | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.219, 42.315, 49.391 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.819 - 1.450 |
| R-factor | 0.169 |
| Rwork | 0.168 |
| R-free | 0.19280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3m0r |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.233 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.820 | 19.820 | 1.470 |
| High resolution limit [Å] | 1.450 | 7.940 | 1.450 |
| Rmerge | 0.029 | 0.016 | 0.556 |
| Rmeas | 0.035 | ||
| Rpim | 0.019 | ||
| Total number of observations | 39913 | ||
| Number of reflections | 12697 | ||
| <I/σ(I)> | 17.5 | ||
| Completeness [%] | 99.0 | 90.5 | 99 |
| Redundancy | 3.1 | 2.9 | 3.2 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1M Sodium Acetate, 1 M Ammonium sulphate |
