5TNK
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 1,2-Epoxyoctane 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 | 2013-11-11 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0781 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 168.207, 84.093, 89.246 |
Unit cell angles | 90.00, 100.39, 90.00 |
Refinement procedure
Resolution | 19.696 - 1.650 |
R-factor | 0.1523 |
Rwork | 0.151 |
R-free | 0.17570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kd2 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.810 |
Data reduction software | XDS (March 30, 2013) |
Data scaling software | XDS (July 4, 2012) |
Phasing software | PHENIX ((1.10_2155: ???)) |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.696 | 1.700 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.072 | 0.490 |
Number of reflections | 146707 | |
<I/σ(I)> | 23.14 | 4.64 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.52 | 7.43 |
CC(1/2) | 0.999 | 0.918 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | sodium acetate, pH5 calcium chloride PEG 8000 |