5HKA
Crystal structure of the CFTR inhibitory factor Cif bound to an amide inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2014-12-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9770 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 168.971, 83.711, 88.879 |
Unit cell angles | 90.00, 100.68, 90.00 |
Refinement procedure
Resolution | 19.967 - 2.050 |
R-factor | 0.1639 |
Rwork | 0.162 |
R-free | 0.19740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kd2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.129 |
Data reduction software | XDS (January 10, 2014) |
Data scaling software | XSCALE (January 10, 2014) |
Phasing software | PHENIX (1.7.3_928) |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.080 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.093 | 0.445 |
Number of reflections | 75324 | |
<I/σ(I)> | 15.25 | 3.53 |
Completeness [%] | 98.5 | 97.2 |
Redundancy | 3.8 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | PEG 8000, Calcium Chloride, Sodium Acetate, Dimethylsulfoxide |