8R0C
Crystal structure of Borneoldehydrogenase ancestor N32
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-02 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.556, 93.484, 78.815 |
| Unit cell angles | 90.00, 105.57, 90.00 |
Refinement procedure
| Resolution | 37.960 - 1.990 |
| R-factor | 0.1749 |
| Rwork | 0.173 |
| R-free | 0.21880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.888 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.110 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmeas | 0.150 | 0.468 |
| Number of reflections | 67766 | 73733 |
| <I/σ(I)> | 10.3 | 1 |
| Completeness [%] | 99.1 | 95.3 |
| Redundancy | 6.9 | 7 |
| CC(1/2) | 0.998 | 0.468 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 291 | 0.1 M HEPES/NaOH pH 7.6, 0.2 M proline, 12% (w/v) PEG 3,350 |
