5HKA
Crystal structure of the CFTR inhibitory factor Cif bound to an amide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2014-12-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9770 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.971, 83.711, 88.879 |
| Unit cell angles | 90.00, 100.68, 90.00 |
Refinement procedure
| Resolution | 19.967 - 2.050 |
| R-factor | 0.1639 |
| Rwork | 0.162 |
| R-free | 0.19740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kd2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.129 |
| 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] | 20.000 | 2.080 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.093 | 0.445 |
| Number of reflections | 75324 | |
| <I/σ(I)> | 15.25 | 3.53 |
| Completeness [%] | 98.5 | 97.2 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | PEG 8000, Calcium Chloride, Sodium Acetate, Dimethylsulfoxide |
