8CVG
Structure of L289F 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 | 2021-02-03 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.719, 79.228, 55.822 |
| Unit cell angles | 90.00, 111.03, 90.00 |
Refinement procedure
| Resolution | 43.572 - 1.560 |
| Rwork | 0.182 |
| R-free | 0.20060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ttm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.160 |
| 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 | 1.590 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.101 | 0.561 |
| Rpim | 0.040 | 0.249 |
| Number of reflections | 51478 | 2573 |
| <I/σ(I)> | 32.1 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 6 |
| CC(1/2) | 0.906 | 0.906 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, sodium formate, strontium chloride |
