9O3M
K40F mutant of hCRBPII bound to fentanyl
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-14 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.127 |
| Spacegroup name | P 1 |
| Unit cell lengths | 29.965, 35.685, 63.731 |
| Unit cell angles | 91.03, 86.94, 67.41 |
Refinement procedure
| Resolution | 29.740 - 1.420 |
| Rwork | 0.196 |
| R-free | 0.23130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.798 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6-3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.740 | 1.471 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmeas | 0.101 | 0.561 |
| Rpim | 0.040 | 0.254 |
| Number of reflections | 39316 | 1813 |
| <I/σ(I)> | 37.99 | |
| Completeness [%] | 85.7 | |
| Redundancy | 6 | |
| CC(1/2) | 0.889 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | PEG4000, ammonium acetate, sodium acetate, pH 4.0 - 4.8 |
