2XDM
Crystal structure of a complex between Actinomadura R39 DD peptidase and a peptidoglycan mimetic boronate inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 273 |
| Detector technology | CCD |
| Detector | MARRESEARCH SX-165 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.308, 91.568, 106.871 |
| Unit cell angles | 90.00, 94.37, 90.00 |
Refinement procedure
| Resolution | 32.430 - 2.400 |
| R-factor | 0.20265 |
| Rwork | 0.199 |
| R-free | 0.26225 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wk0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.244 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.100 | 0.480 |
| Number of reflections | 77588 | |
| <I/σ(I)> | 9.7 | 2.6 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
