9WS1
ToFrO 15E_cryo
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 11C |
| Synchrotron site | PAL/PLS |
| Beamline | 11C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-12-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.040, 53.870, 79.950 |
| Unit cell angles | 90.00, 101.15, 90.00 |
Refinement procedure
| Resolution | 27.870 - 1.800 |
| R-factor | 0.2206 |
| Rwork | 0.220 |
| R-free | 0.24220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6uv8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.016 |
| 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] | 28.610 | 1.880 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 36676 | 3653 |
| <I/σ(I)> | 7.74 | |
| Completeness [%] | 96.1 | |
| Redundancy | 6.1 | |
| CC(1/2) | 0.980 | 0.810 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 5% (w/v) 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate, 15% (w/v) PEG 20,000 |
