2XLN
Crystal structure of a complex between Actinomadura R39 DD-peptidase and a boronate inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Collection date | 2010-01-25 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 102.994, 91.258, 106.878 |
| Unit cell angles | 90.00, 94.46, 90.00 |
Refinement procedure
| Resolution | 33.350 - 2.400 |
| R-factor | 0.19423 |
| Rwork | 0.191 |
| R-free | 0.24719 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.150 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.600 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.100 | 0.520 |
| Number of reflections | 77046 | |
| <I/σ(I)> | 18.1 | 3.6 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
