4JOG
CFTR Associated Ligand (CAL) PDZ domain bound to peptide V-iCAL36 (ANSRVPTSII)
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 | 2010-11-27 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.673, 47.938, 97.848 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.655 - 1.465 |
R-factor | 0.1794 |
Rwork | 0.179 |
R-free | 0.19470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4E34 (CAL PDZ domain bound to iCAL36 peptide) |
RMSD bond length | 0.006 |
RMSD bond angle | 1.042 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.656 | 2.510 | 1.540 |
High resolution limit [Å] | 1.465 | 2.190 | 1.465 |
Rmerge | 0.088 | 0.040 | 0.529 |
Number of reflections | 30171 | ||
<I/σ(I)> | 16.71 | 26.64 | 3.05 |
Completeness [%] | 98.1 | 100 | 88.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 40% (w/v) polyethylene glycol (PEG), 0.2 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |