5HKB
Crystal structure of the CFTR inhibitory factor Cif bound to the inhibitor KB2115
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2012-09-29 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 84.168, 169.494, 175.568 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.921 - 1.650 |
| R-factor | 0.1908 |
| Rwork | 0.190 |
| R-free | 0.21510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kb2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.161 |
| Data reduction software | XDS (January 10, 2014) |
| Data scaling software | XSCALE (January 10, 2014) |
| Phasing software | PHENIX (1.7.3_928) |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.921 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.102 | 0.418 |
| Number of reflections | 150068 | |
| <I/σ(I)> | 21.76 | 7.22 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.6 | 14.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | PEG 8000, Calcium Chloride, Sodium Acetate, Dimethylsulfoxide |
