2WKE
Crystal structure of the Actinomadura R39 DD-peptidase inhibited by 6- beta-iodopenicillanate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-20 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.981, 92.686, 107.133 |
| Unit cell angles | 90.00, 95.03, 90.00 |
Refinement procedure
| Resolution | 29.060 - 2.200 |
| R-factor | 0.20862 |
| Rwork | 0.206 |
| R-free | 0.26136 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w79 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.507 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.000 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.270 |
| Number of reflections | 94213 | |
| <I/σ(I)> | 13.6 | 2.9 |
| Completeness [%] | 91.5 | 73 |
| Redundancy | 3.1 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | pH 8 |
