8CVB
Structure of Hyoscyamine 6-beta Hydroxylase in complex with iron, 2-oxoglutarate, and 6-OH-hyoscyamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-10-10 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.801, 79.329, 55.848 |
| Unit cell angles | 90.00, 110.99, 90.00 |
Refinement procedure
| Resolution | 43.610 - 1.532 |
| Rwork | 0.183 |
| R-free | 0.20370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ttm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.150 |
| 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 | 1.560 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.046 | 0.371 |
| Rpim | 0.018 | 0.157 |
| Number of reflections | 54702 | 2733 |
| <I/σ(I)> | 34.8 | 5 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 7.6 | 6.5 |
| CC(1/2) | 0.930 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, sodium formate, strontium chloride |
