4UA6
CTX-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-08-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.61992 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.106, 106.581, 47.716 |
Unit cell angles | 90.00, 102.23, 90.00 |
Refinement procedure
Resolution | 20.000 - 0.790 |
Rwork | 0.110 |
R-free | 0.11490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p74 |
RMSD bond length | 0.015 |
RMSD bond angle | 0.034 |
Data scaling software | HKL-2000 |
Refinement software | SHELXL |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 0.790 |
Rmerge | 0.047 |
Number of reflections | 473395 |
<I/σ(I)> | 29.5 |
Completeness [%] | 98.8 |
Redundancy | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 293 | 1.0M potassium phosphate |