4IBR
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S/E104K mutations
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-09-13 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 136.240, 46.600, 39.000 |
| Unit cell angles | 90.00, 93.87, 90.00 |
Refinement procedure
| Resolution | 67.960 - 2.200 |
| R-factor | 0.19778 |
| Rwork | 0.195 |
| R-free | 0.24745 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zg4 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.899 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 80.000 |
| High resolution limit [Å] | 2.200 |
| Number of reflections | 12175 |
| Completeness [%] | 96.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | 11% (wt/vol) polyethylene glycol (PEG) 8000, 100 mM MES buffer pH 6.7, 200mM Ca(OAc)2 and 10 M ZnCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
