6I1E
Crystal structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 in complex with amoxicillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.440, 82.780, 89.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.750 - 1.640 |
| R-factor | 0.21943 |
| Rwork | 0.219 |
| R-free | 0.23610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hzr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.125 |
| Data reduction software | xia2 |
| Data scaling software | XSCALE |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.750 | 1.670 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmeas | 0.094 | |
| Number of reflections | 62985 | |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 100.0 | |
| Redundancy | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 25% (w/v) polyethylene glycol 3,350, 0.1M Bis-Tris propane pH 7.8 and 1% (w/v) protamine sulphate |
