3O86
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 | 2010-04-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.340, 76.880, 97.760 |
| Unit cell angles | 90.00, 116.11, 90.00 |
Refinement procedure
| Resolution | 29.584 - 1.600 |
| R-factor | 0.1676 |
| Rwork | 0.167 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ke4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.323 |
| 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 | 1.690 |
| High resolution limit [Å] | 1.600 | 5.100 | 1.600 |
| Rmerge | 0.045 | 0.022 | 0.440 |
| Number of reflections | 102737 | 3103 | 15381 |
| <I/σ(I)> | 16.42 | 38.8 | 3.1 |
| Completeness [%] | 99.0 | 93.4 | 98.6 |
| Redundancy | 3.85 |
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 |
