5BS3
Crystal Structure of S.A. gyrase in complex with Compound 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 |
| Unit cell lengths | 93.337, 93.337, 411.068 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.710 - 2.650 |
| R-factor | 0.172 |
| Rwork | 0.170 |
| R-free | 0.21300 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.200 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.9.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 411.070 | 2.790 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.088 | 0.494 |
| Number of reflections | 58653 | |
| <I/σ(I)> | 17.4 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 293 | 15.33 % PEG MME 5K, 50 mM Bis-Tris pH 6.0 |
