5AOE
Crystal structure of pneumolysin D168A mutant.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-22 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 160.860, 24.660, 208.350 |
| Unit cell angles | 90.00, 90.26, 90.00 |
Refinement procedure
| Resolution | 49.487 - 2.500 |
| R-factor | 0.2236 |
| Rwork | 0.222 |
| R-free | 0.24970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5aod |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.687 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.160 | 1.200 |
| Number of reflections | 59226 | |
| <I/σ(I)> | 8.12 | 1.44 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 5.3 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
