3ZCZ
Crystal structure of a complex between Actinomadura R39 DD-peptidase and a trifluoroketone inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Collection date | 2012-09-23 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.653, 91.727, 106.882 |
| Unit cell angles | 90.00, 94.30, 90.00 |
Refinement procedure
| Resolution | 47.900 - 2.600 |
| R-factor | 0.195 |
| Rwork | 0.193 |
| R-free | 0.23700 |
| Structure solution method | SIRAS |
| Starting model (for MR) | 2xdm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.996 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.900 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.090 | 0.630 |
| Number of reflections | 61653 | |
| <I/σ(I)> | 13.5 | 3.3 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.9 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
