4UA7
CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-08-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.77490 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.079, 106.947, 47.761 |
Unit cell angles | 90.00, 101.77, 90.00 |
Refinement procedure
Resolution | 10.000 - 0.890 |
Rwork | 0.114 |
R-free | 0.13070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p74 |
RMSD bond length | 0.014 |
RMSD bond angle | 0.031 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | SHELXL |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 0.890 |
Rmerge | 0.052 |
Number of reflections | 334913 |
<I/σ(I)> | 22 |
Completeness [%] | 99.4 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 293 | 1.0M Potassium Phosphate |