8ZBC
An acyltransferase with selective perhydrolytic activity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-27 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.45 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 131.750, 165.350, 150.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.170 - 2.970 |
| R-factor | 0.21033 |
| Rwork | 0.209 |
| R-free | 0.23910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.513 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.170 | 3.130 |
| High resolution limit [Å] | 2.970 | 2.970 |
| Rmerge | 0.159 | 0.418 |
| Number of reflections | 32663 | 12145 |
| <I/σ(I)> | 6 | |
| Completeness [%] | 96.0 | |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 60% v/v Tacsimate, 5mM Ethyl acetate, 5mM Hydrogen peroxide |
