4E3O
Crystal structure of AmpC beta-lactamase in complex with a small chloromethyl 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] | 80 |
| Detector technology | CCD |
| Collection date | 2010-08-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.11587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.540, 76.740, 97.880 |
| Unit cell angles | 90.00, 116.60, 90.00 |
Refinement procedure
| Resolution | 29.563 - 1.600 |
| R-factor | 0.1618 |
| Rwork | 0.161 |
| R-free | 0.18550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ke4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.305 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.563 | 1.690 | |
| High resolution limit [Å] | 1.600 | 5.100 | 1.600 |
| Rmerge | 0.040 | 0.019 | 0.503 |
| Number of reflections | 102681 | 3110 | 15535 |
| <I/σ(I)> | 16.41 | 44.85 | 2.43 |
| Completeness [%] | 99.2 | 93.8 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 293 | 1.7 M POTASSIUM PHOSPHATE, pH 8.8, vapor diffusion, hanging drop, temperature 293K |
