9VCH
Tacrine loaded HFn
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97914 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 183.565, 183.565, 183.565 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.330 - 1.700 |
| R-factor | 0.1442 |
| Rwork | 0.142 |
| R-free | 0.17960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.167 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.470 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.086 | 0.607 |
| Rmeas | 0.089 | 0.628 |
| Rpim | 0.018 | 0.123 |
| Number of reflections | 25638 | 3615 |
| <I/σ(I)> | 25.5 | 6.6 |
| Completeness [%] | 86.2 | 85.5 |
| Redundancy | 24.4 | 25.5 |
| CC(1/2) | 0.999 | 0.966 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | 1.5 - 2.0 M MgCl2 and 0.1 M bicine pH 9.0 |
