5TNR
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 16,17-EpDPE hydrolysis intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 83.846, 168.912, 176.424 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.743 - 1.800 |
| R-factor | 0.1628 |
| Rwork | 0.161 |
| R-free | 0.18930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kd2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.856 |
| Data reduction software | XDS (May 1, 2016) |
| Data scaling software | XDS (May 1, 2016) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.743 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.145 | 0.597 |
| Number of reflections | 115528 | |
| <I/σ(I)> | 13.9 | 3.98 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.75 | 6.83 |
| CC(1/2) | 0.997 | 0.944 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | sodium acetate, pH5 calcium chloride PEG 8000 |
