6OV7
CFTR Associated Ligand (CAL) PDZ domain bound to peptide kCAL01
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 | 2016-12-11 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.622, 60.767, 81.164 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.420 - 1.710 |
Rwork | 0.182 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e34 |
Data reduction software | XDS (Version November 1, 2016) |
Data scaling software | XSCALE (Version November 1, 2016) |
Phasing software | PHENIX (Phaser-MR Version 1.14-3260-000) |
Refinement software | PHENIX (version 1.14-3260-000) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 9.990 | 1.830 |
High resolution limit [Å] | 1.710 | 8.000 | 1.710 |
Rmerge | 0.108 | 0.959 | |
Rmeas | 1.041 | ||
Number of reflections | 27416 | 132 | 4241 |
<I/σ(I)> | 14.01 | 49.99 | 2.04 |
Completeness [%] | 99.6 | 100 | 99.8 |
Redundancy | 6.46 | 5.37 | 6.65 |
CC(1/2) | 0.786 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 6 mg/mL CAL PDZ, 1 mM kCAL01 peptide, 25% (w/v) PEG 8000, 5% PEG 400, 150 mM NaCl, and 100 mM Tris pH 8.5 |