4S2L
Crystal Structure of OXA-163 beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2014-01-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.997 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.870, 125.750, 49.710 |
| Unit cell angles | 90.00, 116.78, 90.00 |
Refinement procedure
| Resolution | 38.168 - 1.720 |
| R-factor | 0.1955 |
| Rwork | 0.194 |
| R-free | 0.23230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hbr |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.323 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.170 | 38.170 | 1.810 |
| High resolution limit [Å] | 1.720 | 5.440 | 1.720 |
| Rmerge | 0.077 | 0.025 | 0.528 |
| Number of reflections | 51864 | ||
| <I/σ(I)> | 10.4 | 23.7 | 2.4 |
| Completeness [%] | 86.0 | 99.7 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.75 | 298 | 0.1M HEPES, 16% w/v PEG8000, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
