7U4B
Ampicillin-CTX-M-15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2020-12-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 170.955, 50.939, 106.597 |
| Unit cell angles | 90.00, 113.45, 90.00 |
Refinement procedure
| Resolution | 48.900 - 1.920 |
| R-factor | 0.2184 |
| Rwork | 0.217 |
| R-free | 0.26990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hbt |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
| Rmerge | 0.119 | 0.078 | 1.172 |
| Rmeas | 0.129 | 0.085 | 1.412 |
| Rpim | 0.050 | 0.033 | 0.766 |
| Total number of observations | 775061 | ||
| Number of reflections | 57183 | 7084 | 2998 |
| <I/σ(I)> | 5.3 | ||
| Completeness [%] | 94.1 | 100 | 44.3 |
| Redundancy | 6 | 6.6 | 2.4 |
| CC(1/2) | 0.989 | 0.368 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 300 mM Ammonium sulfate, 30% PEG 4000 |
