4F78
Crystal Structure of Vancomycin Resistance D,D-dipeptidase VanXYg
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.912, 43.960, 80.199 |
| Unit cell angles | 90.00, 99.19, 90.00 |
Refinement procedure
| Resolution | 39.584 - 1.950 |
| R-factor | 0.1554 |
| Rwork | 0.154 |
| R-free | 0.18640 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.494 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.170 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.078 | 0.329 |
| Number of reflections | 19747 | |
| <I/σ(I)> | 10.6 | 3.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 298 | 0.2 M ammonium sulfate, 0.1 M sodium cacodylate, 30% PEG 8K, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
