3UY6
BlaR1 sensor domain from Staphylococcus aureus with N439V mutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-28 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.604, 107.965, 56.014 |
| Unit cell angles | 90.00, 108.35, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.1855 |
| Rwork | 0.183 |
| R-free | 0.22940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.534 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.088 | 0.586 |
| Number of reflections | 30452 | |
| <I/σ(I)> | 16.5 | |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 297 | 30% PEG 8000, 0.2 M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
