4AWZ
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 |
Unit cell lengths | 79.474, 79.474, 229.266 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.14049 |
Rwork | 0.139 |
R-free | 0.17259 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.517 |
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] | 30.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.070 | 0.380 |
Number of reflections | 74731 | |
<I/σ(I)> | 17.5 | 4 |
Completeness [%] | 98.9 | 99.6 |
Redundancy | 5 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 19% POLYETHYLENE GLYCOL MONOMETHYL ETHERS (PEG MME) 2000, 0.1 M CALCIUM ACETATE AND 0.1 M SODIUM CACODYLATE AT PH 5.0 |