2VGJ
Crystal structure of Actinomadura R39 DD-peptidase complexed with a peptidoglycan-mimetic cephalosporin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-12-08 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 105.030, 93.250, 108.160 |
| Unit cell angles | 90.00, 94.21, 90.00 |
Refinement procedure
| Resolution | 16.030 - 2.400 |
| R-factor | 0.199 |
| Rwork | 0.196 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w79 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.625 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.150 | 0.590 |
| Number of reflections | 81439 | |
| <I/σ(I)> | 9.6 | 2.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | pH 8 |
