8PAK
Crystal Structure of a Squalene-Hopene Cyclase from Cystobacter fuscus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-23 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.244, 75.872, 91.742 |
| Unit cell angles | 90.00, 94.27, 90.00 |
Refinement procedure
| Resolution | 45.785 - 1.420 |
| Rwork | 0.166 |
| R-free | 0.20490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.513 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.420 | 1.440 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.129 | 1.877 |
| Rmeas | 0.142 | 2.035 |
| Rpim | 0.057 | 0.776 |
| Number of reflections | 121895 | 5872 |
| <I/σ(I)> | 6.9 | 0.5 |
| Completeness [%] | 97.9 | 95.59 |
| Redundancy | 6.4 | 7 |
| CC(1/2) | 0.993 | 0.343 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8.5 | 292 | 0.1 M Bicine/Trizma base pH 8.5, 0.03 M MgCl2, 0.03 M CaCl2, 12.5% PEG 1000, 12.5% PEG 3350, 12.5% MPD |
