5HAR
OXA-163 beta-lactamase - S70G mutant
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] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9970 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 44.340, 87.980, 124.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.380 - 1.740 |
| R-factor | 0.1877 |
| Rwork | 0.186 |
| R-free | 0.22090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4s2l |
| RMSD bond length | 0.018 |
| RMSD bond angle | 0.742 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.380 | 1.800 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.037 | 0.410 |
| Number of reflections | 25438 | |
| <I/σ(I)> | 13.8 | 1.7 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 7.1 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M potassium acetate and 20% w/v PEG 3350 |
