4DNO
Crystal structure of the CFTR inhibitory factor Cif with the E153Q mutation adducted with the 1,2-epoxyhexane hydrolysis intermediate
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 | 2011-02-25 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.2006 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.080, 83.663, 89.248 |
| Unit cell angles | 90.00, 100.52, 90.00 |
Refinement procedure
| Resolution | 46.008 - 1.950 |
| R-factor | 0.1759 |
| Rwork | 0.173 |
| R-free | 0.22510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CHAIN A OF PDB ENTRY 3KD2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.006 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.010 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 88446 | |
| <I/σ(I)> | 11.68 | 3.53 |
| Completeness [%] | 99.7 | 98.5 |
| Redundancy | 4.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 14% PEG 8000, 0.125M calcium chloride, 0.1M sodium acetate, 0.01M 1,2-epoxyhexane, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
