4EHB
Crystal structure of the CFTR inhibitory factor Cif with the D129S mutation bound to epoxyhexane
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 | 167.430, 83.920, 88.740 |
Unit cell angles | 90.00, 100.31, 90.00 |
Refinement procedure
Resolution | 43.430 - 1.850 |
R-factor | 0.1789 |
Rwork | 0.177 |
R-free | 0.21370 |
Structure solution method | PDB ENTRY 3KD2 CHAIN A |
RMSD bond length | 0.006 |
RMSD bond angle | 1.036 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.430 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 99966 | |
<I/σ(I)> | 18.1 | 4.6 |
Completeness [%] | 96.9 | 95.8 |
Redundancy | 5.8 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 13% PEG 8000, 0.125M calcium chloride, 0.1M sodium acetate, 0.02M epoxyhexane, VAPOR DIFFUSION, HANGING DROP, temperature 291K |