7CIN
Crystal structure of the extended-spectrum class C beta-lactamase AmpC BER with the ordered R2 loop
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.854, 64.484, 176.299 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.258 - 1.790 |
| R-factor | 0.173138661665 |
| Rwork | 0.171 |
| R-free | 0.21149 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ggw |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.853 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.063 | 0.240 |
| Number of reflections | 63935 | 2979 |
| <I/σ(I)> | 48.62 | 6.766 |
| Completeness [%] | 96.4 | 93 |
| Redundancy | 9.2 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 295 | 0.2M lithium sulfate, 0.1M bis-tris pH 5.5, 25% polyethylene glycol |
