1XA7
Crystal structure of the benzylpenicillin-acylated BlaR1 sensor domain from Staphylococcus aureus
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97911, 0.97940, 0.90000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 88.386, 88.386, 125.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.22236 |
| Rwork | 0.220 |
| R-free | 0.27451 |
| Structure solution method | MAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.796 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 33864 | |
| Completeness [%] | 99.0 | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 291 | 26-29% PEG 3350, 0.2M NaCl, 0.1M Bis-Tris, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
