4E34
Crystal structure of CFTR Associated Ligand (CAL) PDZ domain bound to iCAL36 (ANSRWPTSII) peptide
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 | 2009-06-10 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.91810 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.878, 47.709, 97.301 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.651 - 1.395 |
R-factor | 0.1742 |
Rwork | 0.173 |
R-free | 0.19720 |
Structure solution method | SIRAS |
RMSD bond length | 0.006 |
RMSD bond angle | 1.118 |
Data reduction software | XDS |
Phasing software | SHELX |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.651 | 2.400 | 1.470 |
High resolution limit [Å] | 1.395 | 2.090 | 1.395 |
Rmerge | 0.037 | 0.016 | 0.116 |
Number of reflections | 33980 | ||
<I/σ(I)> | 42.61 | 64.33 | 11.07 |
Completeness [%] | 99.7 | 100 | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 30% w/v PEG8000, 0.3 M potassium bromide, 0.1 M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |