8R0D
Crystal structure of Borneoldehydrogenase ancestor N39
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 | 2021-12-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 62.890, 85.520, 109.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.760 - 1.850 |
| R-factor | 0.1764 |
| Rwork | 0.175 |
| R-free | 0.20990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.015 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.960 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmeas | 0.168 | 1.446 |
| Number of reflections | 138314 | 21199 |
| <I/σ(I)> | 16.8 | 1.13 |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 5.4 | 5.2 |
| CC(1/2) | 0.996 | 0.497 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M HEPES/NaOH pH 7.4, 11% (w/v) PEG 3,000 |
