8CVC
Structure of Hyoscyamine 6-beta Hydroxylase in complex with vanadyl, succinate, and 6-OH-hyoscyamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-11-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.911, 79.761, 56.187 |
| Unit cell angles | 90.00, 111.05, 90.00 |
Refinement procedure
| Resolution | 40.654 - 1.791 |
| Rwork | 0.173 |
| R-free | 0.19430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ttm |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.067 | 0.456 |
| Rpim | 0.026 | 0.199 |
| Number of reflections | 34735 | 1754 |
| <I/σ(I)> | 24.4 | 3.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 6.3 |
| CC(1/2) | 0.889 | 0.889 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, sodium formate, strontium chloride |
