7JZP
CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALBF
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 | 36.307, 47.978, 97.953 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.090 - 1.950 |
R-factor | 0.1819 |
Rwork | 0.178 |
R-free | 0.21670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nmo |
RMSD bond length | 0.010 |
RMSD bond angle | 1.135 |
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 (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.090 | 10.000 | 2.060 |
High resolution limit [Å] | 1.950 | 8.000 | 1.950 |
Rmerge | 0.133 | 0.075 | 0.226 |
Rmeas | 0.142 | 0.085 | 0.259 |
Number of reflections | 12733 | 85 | 1778 |
<I/σ(I)> | 16.8 | 16.5 | 8.97 |
Completeness [%] | 97.4 | 79.4 | 91.8 |
Redundancy | 8.99 | 5.93 | 4.22 |
CC(1/2) | 0.982 | 0.990 | 0.916 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 291 | 5.36 mg/mL CAL PDZ, 1 mM LyCALBF, 31% (w/v) PEG 8000, 200 mM NaCl, 100 mM Tris pH 7.4 |