5TNS
Crystal structure of the D129S mutant of the CFTR inhibitory factor Cif containing 1,2-Epoxycyclohexane
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 | 167.944, 83.690, 89.175 |
| Unit cell angles | 90.00, 100.31, 90.00 |
Refinement procedure
| Resolution | 39.233 - 1.750 |
| R-factor | 0.1528 |
| Rwork | 0.151 |
| R-free | 0.18320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kd2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.811 |
| Data reduction software | XDS (Dec 6, 2010) |
| Data scaling software | XDS (Dec 6, 2010) |
| Phasing software | PHENIX (1.10_2155: ???) |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.158 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.750 |
| Rmerge | 0.082 | 0.456 |
| Number of reflections | 120855 | |
| <I/σ(I)> | 20.76 | 5.24 |
| Completeness [%] | 97.6 | 96.4 |
| Redundancy | 5.75 | 5.79 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | sodium acetate, pH5 calcium chloride PEG 8000 |
