9WSG
ToFrO 15E_to_15Z_1ns
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE CXI |
| Synchrotron site | SLAC LCLS |
| Beamline | CXI |
| Temperature [K] | 293.15 |
| Detector technology | PIXEL |
| Collection date | 2025-03-18 |
| Detector | CS-PAD CXI-2 |
| Wavelength(s) | 1.3 |
| 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 | 18.505 - 2.601 |
| Rwork | 0.272 |
| R-free | 0.28290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 9ws1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.703 |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.820 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 12753 | 614 |
| <I/σ(I)> | 4.58 | |
| Completeness [%] | 100.0 | |
| Redundancy | 134.19 | |
| CC(1/2) | 0.790 | 0.520 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 293.15 | 5% (w/v) 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate and 15% (w/v) PEG 20,000 |
