8CVD
Structure of Hyoscyamine 6-beta Hydroxylase in complex with iron, succinate, and scopolamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.03317 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.796, 79.214, 55.957 |
| Unit cell angles | 90.00, 111.24, 90.00 |
Refinement procedure
| Resolution | 43.599 - 1.717 |
| Rwork | 0.182 |
| R-free | 0.19910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ttm |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.217 |
| 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 | 1.750 |
| High resolution limit [Å] | 1.717 | 1.717 |
| Rmerge | 0.127 | 1.098 |
| Rpim | 0.054 | 0.599 |
| Number of reflections | 37388 | 1909 |
| <I/σ(I)> | 17.5 | 1.7 |
| Completeness [%] | 98.1 | 97.5 |
| Redundancy | 6.1 | 4 |
| CC(1/2) | 0.988 | 0.536 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, sodium formate, strontium chloride |
