7JZO
CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALTPP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792909 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.804, 47.812, 97.926 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.960 - 1.610 |
R-factor | 0.1765 |
Rwork | 0.175 |
R-free | 0.20550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nmo |
RMSD bond length | 0.007 |
RMSD bond angle | 0.949 |
Data reduction software | XDS (Version November 1, 2016) |
Data scaling software | XSCALE (Version November 1, 2016) |
Phasing software | PHENIX (1.17.1-3660) |
Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 10.000 | 1.700 |
High resolution limit [Å] | 1.610 | 8.000 | 1.610 |
Rmerge | 0.124 | 0.068 | 0.291 |
Rmeas | 0.132 | 0.078 | 0.326 |
Number of reflections | 22749 | 89 | 3172 |
<I/σ(I)> | 15.84 | 18.48 | 5.46 |
Completeness [%] | 98.4 | 80.9 | 93.2 |
Redundancy | 9.17 | 5.75 | 4.6 |
CC(1/2) | 0.992 | 0.992 | 0.936 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 291 | 5.36 mg/mL CAL PDZ, 1 mM LyCALTPP, 31% (w/v) PEG 8000, 150 mM NaCl, 100 mM Tris pH 7.4 |