4EUS
Crystal structure of the CFTR inhibitory factor Cif bound to 1,2-hexanediol
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 | 2012-02-24 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 169.768, 84.249, 90.132 |
Unit cell angles | 90.00, 100.31, 90.00 |
Refinement procedure
Resolution | 46.450 - 1.650 |
R-factor | 0.1701 |
Rwork | 0.169 |
R-free | 0.19740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Chain A of PDB ENTRY 3KD2 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.061 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.450 | 1.700 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 149966 | |
<I/σ(I)> | 15.63 | 3.59 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 4.1 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 14% PEG 8000, 0.125M calcium chloride, 0.1M sodium acetate, 0.02M 1,2-hexanediol, VAPOR DIFFUSION, HANGING DROP, temperature 291K |