6A37
X-ray structure of cyclohexanone monooxygenase from Acinetobacter calcoaceticus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.100, 52.969, 102.162 |
| Unit cell angles | 90.00, 96.51, 90.00 |
Refinement procedure
| Resolution | 48.386 - 2.204 |
| R-factor | 0.1868 |
| Rwork | 0.185 |
| R-free | 0.22930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ucl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.093 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.157 | 0.464 |
| Number of reflections | 28080 | |
| <I/σ(I)> | 10.8 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 25% (w/v) PEG 3350, 0.1 M Tris-HCl (pH 8.5), 0.2 M NaCl |
