3Q82
Meropenem acylated BlaR1 sensor domain from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-03-12 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.801, 108.087, 56.451 |
| Unit cell angles | 90.00, 108.98, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.18586 |
| Rwork | 0.183 |
| R-free | 0.23405 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.661 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 5.660 | 2.100 |
| Rmerge | 0.073 | 0.051 | 0.301 |
| Number of reflections | 28047 | ||
| <I/σ(I)> | 19.3 | ||
| Completeness [%] | 90.7 | 100 | 62 |
| Redundancy | 3.6 | 3.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | PEG4000 30%, TRIS 0.1M, NH4SSO4 0.2M, pH 8.5, vapor diffusion, sitting drop, temperature 298K |
