2P74
CTX-M-9 class A beta-lactamase apo crystal structure at 0.88 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 | 2005-04-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.800 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.162, 106.796, 47.785 |
| Unit cell angles | 90.00, 102.09, 90.00 |
Refinement procedure
| Resolution | 10.000 - 0.880 |
| R-factor | 0.1 |
| Rwork | 0.100 |
| R-free | 0.11390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ylj |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.032 |
| 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 | 0.910 |
| High resolution limit [Å] | 0.880 | 0.880 |
| Rmerge | 0.032 | 0.326 |
| Number of reflections | 310765 | |
| <I/σ(I)> | 18.1 | 2.1 |
| Completeness [%] | 88.9 | 80.6 |
| Redundancy | 5.5 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 293 | potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
