2P9V
Structure of AmpC beta-lactamase with cross-linked active site after exposure to small molecule 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 | 2006-02-02 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.020, 76.434, 97.786 |
| Unit cell angles | 90.00, 116.07, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.16226 |
| Rwork | 0.160 |
| R-free | 0.19712 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.430 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.057 | 0.347 |
| Number of reflections | 72841 | |
| <I/σ(I)> | 14.2 | 2.1 |
| Completeness [%] | 99.3 | 99.4 |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 291 | microseeding used, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
