4E35
Crystal structure of CFTR Associated Ligand (CAL) PDZ domain bound to iCAL36-L (ANSRWPTSIL) 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 | 2011-04-05 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.083, 47.603, 97.838 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.471 - 1.400 |
R-factor | 0.1849 |
Rwork | 0.184 |
R-free | 0.19820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e34 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.129 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.471 | 2.780 | 1.490 |
High resolution limit [Å] | 1.400 | 2.280 | 1.400 |
Rmerge | 0.067 | 0.023 | 0.376 |
Number of reflections | 33518 | ||
<I/σ(I)> | 22.14 | 40.93 | 4.27 |
Completeness [%] | 98.6 | 99.7 | 97.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 30% w/v PEG8000, 0.15 M sodium chloride, 0.1 M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |