4EHB
Crystal structure of the CFTR inhibitory factor Cif with the D129S mutation bound to epoxyhexane
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 | 2011-04-20 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 167.430, 83.920, 88.740 |
| Unit cell angles | 90.00, 100.31, 90.00 |
Refinement procedure
| Resolution | 43.430 - 1.850 |
| R-factor | 0.1789 |
| Rwork | 0.177 |
| R-free | 0.21370 |
| Structure solution method | PDB ENTRY 3KD2 CHAIN A |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.036 |
| 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] | 43.430 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 99966 | |
| <I/σ(I)> | 18.1 | 4.6 |
| Completeness [%] | 96.9 | 95.8 |
| Redundancy | 5.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 13% PEG 8000, 0.125M calcium chloride, 0.1M sodium acetate, 0.02M epoxyhexane, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
