4KQO
Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with piperacillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-05-30 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91730 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.049, 74.935, 82.785 |
| Unit cell angles | 71.26, 86.04, 85.59 |
Refinement procedure
| Resolution | 47.100 - 2.310 |
| R-factor | 0.2188 |
| Rwork | 0.217 |
| R-free | 0.24965 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ocl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.271 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.390 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.185 | 0.275 |
| Number of reflections | 55461 | |
| <I/σ(I)> | 6 | 1.5 |
| Completeness [%] | 97.8 | 87.2 |
| Redundancy | 9.4 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 2.5 M NaCl; 0.1 M imidazole, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
