7JZQ
CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALPMB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.097, 49.659, 49.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.550 - 1.350 |
R-factor | 0.1744 |
Rwork | 0.173 |
R-free | 0.18550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nmo |
RMSD bond length | 0.008 |
RMSD bond angle | 1.208 |
Data reduction software | XDS (Version November 1, 2016) |
Data scaling software | XSCALE (Version November 1, 2016) |
Phasing software | PHENIX (v1.17.1-3660) |
Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 10.000 | 1.440 |
High resolution limit [Å] | 1.350 | 8.000 | 1.350 |
Rmerge | 0.054 | 0.020 | 0.515 |
Rmeas | 0.059 | 0.022 | 0.568 |
Number of reflections | 18161 | 59 | 2805 |
<I/σ(I)> | 21.03 | 62.69 | 3.55 |
Completeness [%] | 97.5 | 100 | 87.4 |
Redundancy | 6.19 | 5.8 | 5.38 |
CC(1/2) | 0.999 | 1.000 | 0.907 |
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 |