3N8D
Crystal structure of Staphylococcus aureus VRSA-9 D-Ala:D-Ala ligase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2010-02-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97919 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.374, 87.271, 91.789 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.640 - 2.300 |
| R-factor | 0.20398 |
| Rwork | 0.200 |
| R-free | 0.27550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i87 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.358 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.640 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.063 | 0.369 |
| Number of reflections | 29619 | |
| <I/σ(I)> | 16.7 | 3.2 |
| Completeness [%] | 96.2 | 86 |
| Redundancy | 4.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 2M ammonium sulfate, 80mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
