1YLY
X-ray crystallographic structure of CTX-M-9 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 | 45.182, 106.845, 47.882 |
| Unit cell angles | 90.00, 101.90, 90.00 |
Refinement procedure
| Resolution | 22.000 - 1.250 |
| R-factor | 0.129 |
| Rwork | 0.129 |
| R-free | 0.16800 |
| Structure solution method | AB INITIO |
| Starting model (for MR) | 1ylj |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.020 |
| 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] | 22.000 | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.034 | 0.259 |
| Number of reflections | 113478 | |
| <I/σ(I)> | 15.9 | 2.13 |
| Completeness [%] | 92.7 | 76.9 |
| Redundancy | 5.22 |
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 |
