5HNM
Crystal structure of vancomycin resistance D,D-pentapeptidase VanY E175A mutant from VanB-type resistance cassette in complex with Zn(II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.709, 77.319, 85.865 |
| Unit cell angles | 101.34, 108.13, 90.06 |
Refinement procedure
| Resolution | 18.878 - 2.300 |
| R-factor | 0.2219 |
| Rwork | 0.219 |
| R-free | 0.27530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mur |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.652 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.878 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.084 | 0.412 |
| Number of reflections | 58200 | |
| <I/σ(I)> | 8.3 | 2.7 |
| Completeness [%] | 98.3 | 97.7 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 1.5 M ammonium sulfate, 4% sucrose, 0.01 M magnesium chloride |
