8V9X
X-ray crystal structure of JGFN4 complex with fentanyl
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-22 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 44.791, 109.067, 50.199 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.430 - 1.550 |
R-factor | 0.1882 |
Rwork | 0.187 |
R-free | 0.21810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.959 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.430 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.109 | 2.011 |
Rmeas | 0.124 | 2.365 |
Rpim | 0.056 | 1.199 |
Total number of observations | 75941 | 2519 |
Number of reflections | 17841 | 792 |
<I/σ(I)> | 8.1 | 0.6 |
Completeness [%] | 98.1 | |
Redundancy | 4.3 | 3.2 |
CC(1/2) | 0.996 | 0.301 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.1 M Tris-HCl, pH 8.0, 0.2 M LiCl, 20% (w/v) PEG 6000 |