4EUS
Crystal structure of the CFTR inhibitory factor Cif bound to 1,2-hexanediol
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 | 2012-02-24 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 169.768, 84.249, 90.132 |
| Unit cell angles | 90.00, 100.31, 90.00 |
Refinement procedure
| Resolution | 46.450 - 1.650 |
| R-factor | 0.1701 |
| Rwork | 0.169 |
| R-free | 0.19740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Chain A of PDB ENTRY 3KD2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.061 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.450 | 1.700 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 149966 | |
| <I/σ(I)> | 15.63 | 3.59 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.1 | 4.2 |
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, 0.02M 1,2-hexanediol, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
