39AI
Crystal structure of the CFTR inhibitory factor Cif with the R163C mutation labelled with a fluorine probe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2026-07-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9201 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.534, 83.895, 89.654 |
| Unit cell angles | 90.00, 100.70, 90.00 |
Refinement procedure
| Resolution | 44.050 - 1.650 |
| R-factor | 0.1678 |
| Rwork | 0.167 |
| R-free | 0.18950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.894 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (2.0_5936) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.050 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.116 | 0.856 |
| Rmeas | 0.132 | 0.978 |
| Rpim | 0.063 | 0.465 |
| Number of reflections | 147168 | 14644 |
| <I/σ(I)> | 7.75 | 1.49 |
| Completeness [%] | 99.9 | 99.92 |
| Redundancy | 4.4 | 4.4 |
| CC(1/2) | 0.996 | 0.564 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 16% (w/v) PEG 8000, 200 mM calcium chloride, 100 mM sodium acetate, pH 5.0 |
