4AWY
Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 77.831, 77.831, 239.018 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.13037 |
| Rwork | 0.129 |
| R-free | 0.15805 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sml |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.619 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.000 | 1.680 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.050 | 0.140 |
| Number of reflections | 56470 | |
| <I/σ(I)> | 0 | 6.6 |
| Completeness [%] | 97.8 | 87 |
| Redundancy | 5.5 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 19% POLYETHYLENE GLYCOL MONOMETHYL ETHERS (PEG MME) 2000, 0.1 M CALCIUM ACETATE AND 0.1M SODIUM CACODYLATE AT PH 5.0 |
