8CVA
Structure of Hyoscyamine 6-beta Hydroxylase in complex with iron, succinate, and 6-OH-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 | 2021-04-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03317 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.839, 79.258, 55.960 |
| Unit cell angles | 90.00, 111.22, 90.00 |
Refinement procedure
| Resolution | 43.613 - 1.581 |
| Rwork | 0.185 |
| R-free | 0.20550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ttm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.170 |
| 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 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.086 | 0.675 |
| Rpim | 0.036 | 0.364 |
| Number of reflections | 48707 | 2461 |
| <I/σ(I)> | 20.1 | 2.3 |
| Completeness [%] | 98.6 | 98.7 |
| Redundancy | 6.3 | 4.1 |
| CC(1/2) | 0.997 | 0.697 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, sodium formate, strontium chloride |
