5TNN
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted (S)-1,2-Epoxyoctane hydrolysis intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-01-22 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.181 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.582, 84.030, 89.581 |
| Unit cell angles | 90.00, 100.19, 90.00 |
Refinement procedure
| Resolution | 19.837 - 1.950 |
| R-factor | 0.1495 |
| Rwork | 0.147 |
| R-free | 0.18970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kd2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.799 |
| Data reduction software | XDS (Oct 15, 2015) |
| Data scaling software | XDS (Oct 15, 2015) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.837 | 2.050 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.087 | 0.545 |
| Number of reflections | 89284 | |
| <I/σ(I)> | 11.63 | 3.26 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 3.73 | 3.75 |
| CC(1/2) | 0.997 | 0.870 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | sodium acetate, pH5 calcium chloride PEG 8000 |
