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 |