4P8O
S. aureus gyrase bound to an aminobenzimidazole urea inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.460, 55.730, 50.800 |
Unit cell angles | 90.00, 100.42, 90.00 |
Refinement procedure
Resolution | 25.920 - 2.400 |
R-factor | 0.1909 |
Rwork | 0.188 |
R-free | 0.23910 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.130 |
Data scaling software | SCALEPACK |
Refinement software | BUSTER-TNT (2.11.5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.440 |
High resolution limit [Å] | 2.400 | 6.490 | 2.400 |
Rmerge | 0.117 | 0.074 | 0.258 |
Total number of observations | 41878 | ||
Number of reflections | 15076 | ||
<I/σ(I)> | 10.9 | ||
Completeness [%] | 96.9 | 95.7 | 83 |
Redundancy | 2.8 | 2.8 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 2M Ammonium sulfate, 100 mM Tris pH 8.0, 5-10% MPD |