4JOE
CFTR Associated Ligand (CAL) PDZ domain bound to peptide A-iCAL36 (ANSRAPTSII)
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 | 36.679, 47.816, 97.665 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.530 - 1.140 |
R-factor | 0.1846 |
Rwork | 0.182 |
R-free | 0.19480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4E34 (CAL PDZ domain bound to iCAL36 peptide) |
RMSD bond length | 0.005 |
RMSD bond angle | 1.077 |
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] | 18.530 | 1.950 | 1.190 |
High resolution limit [Å] | 1.140 | 1.700 | 1.140 |
Rmerge | 0.098 | 0.058 | 0.378 |
Number of reflections | 63014 | ||
<I/σ(I)> | 10.14 | 14.61 | 3.99 |
Completeness [%] | 99.4 | 100 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 31% (w/v) polyethylene glycol (PEG) 3350, 0.05 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |