2H5S
SA2-13 penam sulfone complexed to wt SHV-1 beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-17 |
| Detector | CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.810, 55.220, 84.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.220 - 1.280 |
| R-factor | 0.154 |
| Rwork | 0.154 |
| R-free | 0.16700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rcj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.220 | 1.330 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Number of reflections | 59323 | |
| <I/σ(I)> | 41.5 | |
| Completeness [%] | 97.7 | 96.5 |
| Redundancy | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 30%PEG6000, 0.1M HEPES, 0.56 mM cymal-6, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
