2H0Y
Crystal structure of the M69V E166A double mutant of SHV-1 b-lactamase complexed to sulbactam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-09-30 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.46 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.590, 55.310, 83.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 9.850 - 1.700 |
| R-factor | 0.175 |
| Rwork | 0.175 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rcj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 9.990 |
| High resolution limit [Å] | 1.700 |
| Number of reflections | 25354 |
| <I/σ(I)> | 9.9 |
| Completeness [%] | 93.4 |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 20% PEG 6000, 0.1 M HEPES, 0.56mM Cymal-6. Crystal soaked for 10 minutes in 50mM sublactam prior to freezing and data collection, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
