9AXR
Crystal Structure of HY18-5B1_Ch Fab in Complex with Fentanyl
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979180 |
Spacegroup name | P 31 |
Unit cell lengths | 114.635, 114.635, 90.951 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.490 - 3.300 |
R-factor | 0.2969 |
Rwork | 0.278 |
R-free | 0.31640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.568 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.490 | 3.560 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.360 | 1.024 |
Rmeas | 0.400 | 1.145 |
Rpim | 0.173 | 0.508 |
Total number of observations | 105196 | 20841 |
Number of reflections | 20115 | 4177 |
<I/σ(I)> | 8.2 | 2.1 |
Completeness [%] | 99.9 | |
Redundancy | 5.2 | 5 |
CC(1/2) | 0.946 | 0.550 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 25% PEG 3350, 0.2M ammonium sulfate, 0.1M Bis-Tris pH 5.5 |