5M2H
Crystal structure of vancomycin-Zn(II)-citrate 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 | 2015-10-02 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 49.038, 57.481, 21.638 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.310 - 0.950 |
| R-factor | 0.10616 |
| Rwork | 0.105 |
| R-free | 0.11758 |
| RMSD bond length | 0.042 |
| RMSD bond angle | 2.738 |
| 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] | 37.310 | 1.000 |
| High resolution limit [Å] | 0.950 | 0.950 |
| Rmerge | 0.052 | 0.085 |
| Number of reflections | 19399 | |
| <I/σ(I)> | 30.1 | 11.7 |
| Completeness [%] | 98.2 | 90.5 |
| Redundancy | 9.9 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M di-ammonium hydrogen citrate salt and 20% (w/v) PEG 3350 |
