3G7B
Staphylococcus aureus Gyrase B co-complex with METHYL ({5-[4-(4-HYDROXYPIPERIDIN-1-YL)-2-PHENYL-1,3-THIAZOL-5-YL]-1H-PYRAZOL-3-YL}METHYL)CARBAMATE 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 | 144.000, 55.840, 50.420 |
Unit cell angles | 90.00, 99.80, 90.00 |
Refinement procedure
Resolution | 19.330 - 2.300 |
R-factor | 0.212 |
Rwork | 0.209 |
R-free | 0.27500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.800 |
Refinement software | CNX (2005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.072 | |
Number of reflections | 16865 | |
Completeness [%] | 97.7 | 91 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |