8G82
Vancomycin bound to D-Ala-D-Ser
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-10 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9213360555844542 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 30.490, 71.150, 82.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.530 - 1.200 |
| R-factor | 0.154 |
| Rwork | 0.153 |
| R-free | 0.17100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.757 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.540 | 1.230 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.056 | 0.665 |
| Number of reflections | 53037 | |
| <I/σ(I)> | 13.49 | 1.72 |
| Completeness [%] | 93.0 | 59.9 |
| Redundancy | 5.2 | 3.06 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6 | 277 | 25% PEG 1500, 100 mM MIB buffer pH 6 |
