4OQI
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutations
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.930, 46.400, 34.430 |
| Unit cell angles | 90.00, 93.22, 90.00 |
Refinement procedure
| Resolution | 44.400 - 1.130 |
| R-factor | 0.124 |
| Rwork | 0.122 |
| R-free | 0.15500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.181 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.240 | 1.200 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Number of reflections | 82624 | |
| <I/σ(I)> | 11.98 | 4.46 |
| Completeness [%] | 85.7 | |
| Redundancy | 3.57 | 3.18 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.2 | 293 | 9% (wt/vol) polyethylene glycol (PEG) 8000, 100 mM MES, and 200mM Ca(OAc)2, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
