39AH
Crystal structure of the E153Q/S179G mutant of the CFTR inhibitory factor Cif containing the adducted R-Styrene oxide hydrolysis intermediate
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 | 2025-12-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.870, 84.105, 89.771 |
| Unit cell angles | 90.00, 100.30, 90.00 |
Refinement procedure
| Resolution | 40.480 - 1.760 |
| R-factor | 0.1645 |
| Rwork | 0.163 |
| R-free | 0.19390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.855 |
| 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] | 40.480 | 1.820 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.146 | 1.199 |
| Rmeas | 0.163 | 1.340 |
| Rpim | 0.071 | 0.587 |
| Number of reflections | 122131 | 12131 |
| <I/σ(I)> | 7.29 | 1.69 |
| Completeness [%] | 99.8 | 99.99 |
| Redundancy | 5.2 | 5.1 |
| CC(1/2) | 0.995 | 0.520 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 16.5% (w/v) PEG 8000, 175 mM calcium chloride, 100 mM sodium acetate pH 5, 2mM R-styrene oxide, 2% (v/v) DMSO |
