3G75
Crystal structure of Staphylococcus aureus Gyrase B co-complexed with 4-METHYL-5-[3-(METHYLSULFANYL)-1H-PYRAZOL-5-YL]-2-THIOPHEN-2-YL-1,3-THIAZOLE inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2008-11-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 145.470, 57.600, 50.940 |
| Unit cell angles | 90.00, 97.95, 90.00 |
Refinement procedure
| Resolution | 19.920 - 2.300 |
| R-factor | 0.249 |
| Rwork | 0.244 |
| R-free | 0.34000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNX (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.500 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.087 | |
| Number of reflections | 15364 | |
| Completeness [%] | 82.0 | 60 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 298 | hanging drop, pH 6.5, VAPOR DIFFUSION, temperature 298K |
