3OPP
ESBL R164S mutant of SHV-1 beta-lactamase complexed with SA2-13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.547, 55.230, 83.655 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.750 - 1.800 |
| R-factor | 0.14976 |
| Rwork | 0.147 |
| R-free | 0.19201 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1vm1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.364 |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.077 | 0.213 |
| Number of reflections | 20746 | |
| <I/σ(I)> | 8.9 | |
| Completeness [%] | 95.1 | 67.7 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 21-30% PEG 6000, 0.5mM cymal-6, 100mM HEPES buffer, pH 6.6-7.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
