3KDA
Crystal structure of the CFTR inhibitory factor Cif with the H269A mutation
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 | 2007-09-27 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9464 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 167.960, 83.640, 88.930 |
Unit cell angles | 90.00, 100.49, 90.00 |
Refinement procedure
Resolution | 30.722 - 1.500 |
R-factor | 0.17 |
Rwork | 0.169 |
R-free | 0.18300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | initial model obtained from SAD with selenomethionine labeled Cif |
RMSD bond length | 0.005 |
RMSD bond angle | 1.066 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.980 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 192680 | |
<I/σ(I)> | 22.59 | 5.25 |
Completeness [%] | 99.7 | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 20% PEG 8000, 0.55M calcium chloride, 0.1M sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 291K |