3BEB
Crystal structure of E. coli penicillin-binding protein 5 in complex with a peptide-mimetic penicillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-08-23 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 109.200, 50.400, 84.700 |
| Unit cell angles | 90.00, 120.80, 90.00 |
Refinement procedure
| Resolution | 47.000 - 2.000 |
| R-factor | 0.238 |
| Rwork | 0.235 |
| R-free | 0.29600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1nzo |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.395 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.107 | 0.305 |
| Number of reflections | 25433 | |
| <I/σ(I)> | 6.8 | 2 |
| Completeness [%] | 94.3 | 85.9 |
| Redundancy | 2.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 294 | 100mM Tris pH 8.0, 8% PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 294K, pH 8.00 |
