5DF7
CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH AZLOCILLIN
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 | 57.253, 74.919, 82.722 |
| Unit cell angles | 71.26, 85.99, 85.69 |
Refinement procedure
| Resolution | 47.190 - 2.000 |
| R-factor | 0.19946 |
| Rwork | 0.198 |
| R-free | 0.23656 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kqo |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.074 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.137 | 0.579 |
| Number of reflections | 76005 | |
| <I/σ(I)> | 7.4 | 1.6 |
| Completeness [%] | 86.7 | 78.3 |
| Redundancy | 2.7 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294 | 2.5 M NaCl; 0.1 M imidazole pH 8.0 |
