4K76
CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36-TRL (ANSRWPTTRL)
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 | 2011-10-27 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.8856 |
Spacegroup name | P 1 |
Unit cell lengths | 32.762, 50.169, 55.183 |
Unit cell angles | 68.81, 75.79, 87.93 |
Refinement procedure
Resolution | 19.262 - 1.750 |
R-factor | 0.1747 |
Rwork | 0.172 |
R-free | 0.22060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4E34 (CAL PDZ bound to iCAL36 peptide) |
RMSD bond length | 0.006 |
RMSD bond angle | 1.066 |
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] | 19.262 | 3.550 | 1.790 |
High resolution limit [Å] | 1.750 | 2.930 | 1.750 |
Number of reflections | 30591 | ||
<I/σ(I)> | 16.7 | 32.99 | 2.95 |
Completeness [%] | 95.4 | 95.5 | 94.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |