4YX9
Crystal structure of the CFTR inhibitory factor Cif bound to tiratricol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-25 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 169.628, 84.016, 89.522 |
| Unit cell angles | 90.00, 100.48, 90.00 |
Refinement procedure
| Resolution | 42.226 - 1.750 |
| R-factor | 0.1653 |
| Rwork | 0.164 |
| R-free | 0.19480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kd2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.105 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.230 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 124414 | |
| <I/σ(I)> | 12.4 | 3.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 15% [wt/vol] PEG 8000, 0.125M calcium chloride, 0.1M sodium acetate, 0.0002M [4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid, 0.2% [vol/vol] dimethyl sulfoxide |
