8CVF
Structure of L289F Hyoscyamine 6-beta Hydroxylase in complex with vanadyl, succinate, and hyoscyamine
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 | 2020-10-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.03317 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.783, 79.901, 55.675 |
| Unit cell angles | 90.00, 111.24, 90.00 |
Refinement procedure
| Resolution | 43.557 - 1.532 |
| Rwork | 0.181 |
| R-free | 0.20110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ttm |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.268 |
| 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 | 0.123 | 0.468 |
| Rpim | 0.053 | 0.278 |
| Number of reflections | 52983 | 2524 |
| <I/σ(I)> | 26.4 | 3.4 |
| Completeness [%] | 97.0 | 92.6 |
| Redundancy | 5.6 | 3.4 |
| CC(1/2) | 0.994 | 0.839 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, sodium formate, strontium chloride |
