5TNP
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted Styrene oxide hydrolysis intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-01-22 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.181 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.015, 84.013, 89.459 |
| Unit cell angles | 90.00, 100.31, 90.00 |
Refinement procedure
| Resolution | 19.823 - 1.850 |
| R-factor | 0.1687 |
| Rwork | 0.167 |
| R-free | 0.20710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kd2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.798 |
| Data reduction software | XDS (Oct 15, 2015) |
| Data scaling software | XDS (Oct 15, 2015) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.823 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.079 | 0.517 |
| Number of reflections | 104019 | |
| <I/σ(I)> | 13.28 | 3.44 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 3.7 | 3.68 |
| CC(1/2) | 0.998 | 0.865 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | sodium acetate, pH5 calcium chloride PEG 8000 |
