4AX1
Q157N mutant. 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 | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 77.992, 77.992, 239.766 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 - 1.400 |
| R-factor | 0.13079 |
| Rwork | 0.130 |
| R-free | 0.15018 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.753 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.086 | 0.460 |
| Number of reflections | 82502 | |
| <I/σ(I)> | 0 | 2.1 |
| Completeness [%] | 96.3 | 76.7 |
| Redundancy | 6.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 17-18% POLYETHYLENE GLYCOL MONOMETHYL ETHERS (PEG MME) 2000, 0.10 OR 0.15 M CALCIUM ACETATE AND 0.1 M SODIUM CACODYLATE AT PH 5.0 |
