5M2K
Crystal structure of vancomycin-Zn(II) complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | H 3 |
| Unit cell lengths | 35.899, 35.899, 55.553 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.130 - 1.000 |
| R-factor | 0.0976 |
| Rwork | 0.097 |
| R-free | 0.10450 |
| RMSD bond length | 0.038 |
| RMSD bond angle | 2.307 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.130 | 1.050 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.060 | 0.137 |
| Number of reflections | 14362 | |
| <I/σ(I)> | 27 | 13.7 |
| Completeness [%] | 96.3 | 81.9 |
| Redundancy | 8.1 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.2 M magnesium formate salt, 20% (w/v) PEG 3350 |
