7TIN
The Structure of S. aureus MenD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2021-06-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953732 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.445, 166.489, 168.035 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.470 - 2.350 |
| R-factor | 0.1898 |
| Rwork | 0.187 |
| R-free | 0.23550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x7j |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.566 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | REFMAC (1.0.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.850 | 47.850 | 2.390 |
| High resolution limit [Å] | 2.350 | 12.870 | 2.350 |
| Rmerge | 0.284 | 0.056 | 3.930 |
| Rmeas | 0.289 | 0.057 | 4.006 |
| Rpim | 0.056 | 0.012 | 0.764 |
| Total number of observations | 2563352 | 13780 | 127422 |
| Number of reflections | 95884 | 679 | 4731 |
| <I/σ(I)> | 11.5 | 53.6 | 1 |
| Completeness [%] | 100.0 | 98.2 | 99.8 |
| Redundancy | 26.7 | 20.3 | 26.9 |
| CC(1/2) | 0.998 | 0.999 | 0.346 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | Morph H12. 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD 0.02 M of each amino acid 0.1 M bicine/Trizma base pH 8.5 |
