3OPH
ESBL R164S mutant of SHV-1 beta-lactamase
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) | 1.100 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.777, 55.635, 83.848 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.790 - 1.340 |
| R-factor | 0.1633 |
| Rwork | 0.162 |
| R-free | 0.18994 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1vm1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.324 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.390 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Rmerge | 0.061 | 0.234 |
| Number of reflections | 51631 | |
| <I/σ(I)> | 20.8 | 4.9 |
| Completeness [%] | 99.1 | 94.6 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 21-30% PEG 6000, 0.5mM cymal-6, 100mM HEPES buffer, pH 6.6-7.6, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
