5HAP
OXA-48 beta-lactamase - S70A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.919 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 121.900, 121.900, 161.451 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 57.022 - 1.890 |
| R-factor | 0.1923 |
| Rwork | 0.191 |
| R-free | 0.22620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hbr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.847 |
| 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] | 57.100 | 1.960 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.038 | 0.217 |
| Number of reflections | 76678 | |
| <I/σ(I)> | 10.9 | 2.1 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 25.5 | 21.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1M Tris-HCl pH 8.5 and 25% w/v PEG 1000 |
