5IIP
Staphylococcus aureus OpuCA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-09-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.150, 88.260, 61.790 |
| Unit cell angles | 90.00, 114.79, 90.00 |
Refinement procedure
| Resolution | 47.344 - 2.500 |
| R-factor | 0.2463 |
| Rwork | 0.244 |
| R-free | 0.28040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kpb |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.717 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | MR-Rosetta |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.260 | |
| High resolution limit [Å] | 2.500 | |
| Rmerge | 0.135 | 1.162 |
| Number of reflections | 17664 | |
| <I/σ(I)> | 3.2 | |
| Completeness [%] | 99.7 | |
| Redundancy | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% Peg3350, 100 mM MES pH 6, 0.2M NH4Cl |
