5TND
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 1,2-Epoxycyclohexane 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 | 2011-04-20 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.339, 83.926, 89.287 |
| Unit cell angles | 90.00, 100.48, 90.00 |
Refinement procedure
| Resolution | 46.105 - 1.550 |
| R-factor | 0.1513 |
| Rwork | 0.150 |
| R-free | 0.17360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kd2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.848 |
| Data reduction software | XDS (Dec 6, 2010) |
| Data scaling software | XDS (Dec 6, 2010) |
| Phasing software | PHENIX (1.7) |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.105 | 1.600 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.073 | 0.455 |
| Number of reflections | 176815 | |
| <I/σ(I)> | 16.19 | 4.08 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.54 | 5.55 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | sodium acetate, pH5 calcium chloride PEG 8000 |
