4P62
Directed evolution of a B3 metallo-beta-lactamase AIM-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.89 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 76.453, 76.453, 240.270 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 66.210 - 1.890 |
R-factor | 0.17628 |
Rwork | 0.175 |
R-free | 0.19964 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.812 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 44.490 |
High resolution limit [Å] | 1.890 |
Number of reflections | 34233 |
<I/σ(I)> | 2.25 |
Completeness [%] | 99.8 |
Redundancy | 11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277.15 | PEG 8000, Zinc acetate, Sodium cacodylate |