4DUH
Crystal structure of 24 kDa domain of E. coli DNA gyrase B in complex with small molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-17 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.236, 51.122, 79.130 |
| Unit cell angles | 90.00, 95.68, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.1932 |
| Rwork | 0.192 |
| R-free | 0.22550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kzn |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.528 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 78.740 | 20.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 4.060 | 1.500 |
| Rmerge | 0.051 | 0.028 | 0.476 |
| Number of reflections | 67478 | ||
| <I/σ(I)> | 13.8 | ||
| Completeness [%] | 99.2 | 97.3 | 99.6 |
| Redundancy | 7.3 | 7.2 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 293 | 0.1M MES, 22% PEG 3350, 0.2M NaNO3, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
