4MUR
Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant
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 | IMAGE PLATE |
| Collection date | 2013-07-26 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.27696 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.239, 44.725, 62.519 |
| Unit cell angles | 86.27, 77.70, 63.74 |
Refinement procedure
| Resolution | 34.449 - 1.650 |
| R-factor | 0.1575 |
| Rwork | 0.155 |
| R-free | 0.19930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4f78 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.072 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.3_1479)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.090 | 1.830 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.091 | 0.512 |
| Number of reflections | 50465 | |
| <I/σ(I)> | 18 | 3.4 |
| Completeness [%] | 96.8 | 92.1 |
| Redundancy | 7.4 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 273 | 0.1 M magnesium chloride, 0.05 M MES, 20% PEG 8K, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 273K |
