4OP5
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation
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 |
| Wavelength(s) | 0.79990 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.600, 46.100, 34.500 |
| Unit cell angles | 90.00, 93.30, 90.00 |
Refinement procedure
| Resolution | 44.150 - 1.050 |
| R-factor | 0.13188 |
| Rwork | 0.131 |
| R-free | 0.15726 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zg4 |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.333 |
| 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] | 44.150 | |
| High resolution limit [Å] | 1.050 | |
| Number of reflections | 109005 | |
| <I/σ(I)> | 16.45 | |
| Completeness [%] | 97.2 | 95.2 |
| Redundancy | 3.31 | 3.21 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 293 | 9% (wt/vol) polyethylene glycol (PEG) 8000, 100 mM MES pH 6.2, and 200mM Ca(OAc)2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
