1KIJ
Crystal structure of the 43K ATPase domain of Thermus thermophilus gyrase B in complex with novobiocin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2000-09-25 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9397 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.880, 125.550, 79.830 |
| Unit cell angles | 90.00, 96.36, 90.00 |
Refinement procedure
| Resolution | 14.940 - 2.300 |
| R-factor | 0.2 * |
| Rwork | 0.206 |
| R-free | 0.26000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 25.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.064 | 0.155 |
| Number of reflections | 37265 | |
| <I/σ(I)> | 14 | 5.5 |
| Completeness [%] | 96.6 | 90.4 |
| Redundancy | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 * | 295 | Tris,sodium formate, sodium cacodylate, KCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4.5 (mg/ml) | |
| 2 | 1 | reservoir | Tris | 10 (mM) | pH7.2 |
| 3 | 1 | reservoir | EDTA | 1 (mM) | pH8.0 |
| 4 | 1 | reservoir | 2-mercaptoethanol | 5 (mM) | |
| 5 | 1 | reservoir | 200 (mM) |
