4W61
Crystal structure of beta-ketoacyl thiolase B (BktB) from Ralstonia eutropha
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 | 2012-06-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 72.050, 105.987, 201.142 |
| Unit cell angles | 89.97, 89.98, 89.93 |
Refinement procedure
| Resolution | 41.790 - 2.010 |
| R-factor | 0.17774 |
| Rwork | 0.176 |
| R-free | 0.20831 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dd5 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.686 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.056 | 0.030 | 0.444 |
| Total number of observations | 644834 | ||
| Number of reflections | 394877 | ||
| <I/σ(I)> | 13.4 | ||
| Completeness [%] | 94.0 | 96.3 | 93.7 |
| Redundancy | 1.7 | 1.8 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 22% PEG 4000, 100 mM HEPES 7.0, 12% glycerol |
