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 |