5JD9
Bacillus cereus CotH kinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97935 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.757, 63.516, 118.284 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.808 - 1.630 |
| R-factor | 0.1561 |
| Rwork | 0.156 |
| R-free | 0.17070 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.927 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
| Rmerge | 0.092 | 0.019 | |
| Rmeas | 0.094 | ||
| Rpim | 0.054 | ||
| Total number of observations | 257053 | ||
| Number of reflections | 54130 | ||
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 99.9 | 98.5 | 99.9 |
| Redundancy | 4.7 | 4.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.75 | 293 | 0.1 M cacodylate, 0.2 M magnesium chloride, 15% PEG 3350, 30% ethylene glycol |
| 2 | VAPOR DIFFUSION, SITTING DROP | 6.75 | 293 | 0.1 M MES, 0.2 M magnesium chloride, 15% PEG 3350, 30% ethylene glycol |
