8CVE
Structure of L289F Hyoscyamine 6-beta Hydroxylase in complex with iron, 2-oxoglutarate, 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 | 44.763, 79.215, 55.757 |
Unit cell angles | 90.00, 111.05, 90.00 |
Refinement procedure
Resolution | 43.529 - 1.530 |
Rwork | 0.184 |
R-free | 0.20430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ttm |
RMSD bond length | 0.003 |
RMSD bond angle | 1.200 |
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 | 0.089 | 0.451 |
Rpim | 0.040 | 0.238 |
Number of reflections | 52325 | 2456 |
<I/σ(I)> | 22.1 | 4.2 |
Completeness [%] | 96.6 | 89.4 |
Redundancy | 5.5 | 4.1 |
CC(1/2) | 0.995 | 0.863 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, sodium formate, strontium chloride |