1YLZ
X-ray crystallographic structure of CTX-M-14 beta-lactamase complexed with ceftazidime-like boronic acid
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 | 2004-07-17 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.310, 106.892, 47.880 |
Unit cell angles | 90.00, 101.87, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.350 |
R-factor | 0.129 |
Rwork | 0.129 |
R-free | 0.17200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ylj |
RMSD bond length | 0.004 |
RMSD bond angle | 0.016 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.029 | 0.114 |
Number of reflections | 76672 | |
<I/σ(I)> | 15.2 | 3.3 |
Completeness [%] | 78.6 | 26.6 |
Redundancy | 4.62 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.8 | 293 | potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 8.80 |