3Q81
Imipenem 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 | 46.651, 107.581, 56.276 |
| Unit cell angles | 90.00, 108.29, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.19079 |
| Rwork | 0.188 |
| R-free | 0.23732 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.689 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.390 | 2.000 |
| Rmerge | 0.084 | 0.041 | 0.381 |
| Number of reflections | 31859 | ||
| <I/σ(I)> | 14.4 | ||
| Completeness [%] | 89.9 | 99.9 | 53 |
| Redundancy | 3.5 | 3.8 | 2.4 |
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 |
