3O88
Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor
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 | 2009-11-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.030, 77.390, 97.410 |
| Unit cell angles | 90.00, 115.89, 90.00 |
Refinement procedure
| Resolution | 29.539 - 1.640 |
| R-factor | 0.1812 |
| Rwork | 0.181 |
| R-free | 0.21030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ke4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.374 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX (1.6_289) |
| Refinement software | PHENIX (1.6_289) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.720 |
| High resolution limit [Å] | 1.640 | 4.900 | 1.640 |
| Rmerge | 0.041 | 0.022 | 0.448 |
| Number of reflections | 95186 | 3175 | 12732 |
| <I/σ(I)> | 15.3 | 38 | 2.5 |
| Completeness [%] | 98.5 | 84.6 | 99.5 |
| Redundancy | 3.05 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 293 | 1.7 M Potassium Phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
