6X23
PDZ domain from choanoflagellate SHANK1 (mbSHANK1) bound to GIRK3 peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2019-05-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.977410 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.070, 40.690, 78.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.160 - 2.154 |
R-factor | 0.2083 |
Rwork | 0.206 |
R-free | 0.25340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.344 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.160 | 2.750 | 2.510 |
High resolution limit [Å] | 2.150 | 2.510 | 2.150 |
Number of reflections | 6160 | 917 | 2236 |
<I/σ(I)> | 12.45 | 4.98 | 2.03 |
Completeness [%] | 99.9 | 100 | 99.7 |
Redundancy | 12.57 | 13.11 | 12.68 |
CC(1/2) | 0.999 | 0.981 | 0.885 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.25 M sodium chloride, 0.1 M Bis-Tris, pH 5.5, 32% w/v PEG3350 |