5TNH
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 17,18-EpETE 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 | 2012-03-29 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.8856 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 168.132, 84.083, 89.564 |
Unit cell angles | 90.00, 100.28, 90.00 |
Refinement procedure
Resolution | 19.840 - 2.100 |
R-factor | 0.1875 |
Rwork | 0.185 |
R-free | 0.23390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kd2 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.821 |
Data reduction software | XDS (November 1, 2011) |
Data scaling software | XDS (November 1, 2011) |
Phasing software | PHENIX ((1.10_2155: ???)) |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.840 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.149 | 0.634 |
Number of reflections | 71625 | |
<I/σ(I)> | 12.21 | 3.76 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 7.65 | 7.69 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | sodium acetate, pH5 calcium chloride PEG 8000 |