4JOJ
CFTR Associated Ligand (CAL) domain bound to peptide F-iCAL36 (ANSRFPTSII)
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 | 36.183, 48.061, 97.606 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.610 - 1.200 |
R-factor | 0.1846 |
Rwork | 0.182 |
R-free | 0.18820 |
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 | 1.107 |
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] | 19.610 | 2.060 | 1.260 |
High resolution limit [Å] | 1.200 | 1.800 | 1.200 |
Rmerge | 0.093 | 0.046 | 0.428 |
Number of reflections | 53214 | ||
<I/σ(I)> | 13.28 | 20.4 | 3.86 |
Completeness [%] | 98.3 | 99.8 | 95.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 34% (w/v) polyethylene glycol (PEG), 0.15 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |