8AH8
Crystal Structure of the third PDZ domain of PSD-95 protein in the space group P3121 at pH 3.7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-18 |
Detector | DECTRIS PILATUS3 X 2M |
Wavelength(s) | 0.8731 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 35.628, 35.628, 110.472 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 17.960 - 1.500 |
R-factor | 0.1888 |
Rwork | 0.188 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qji |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | PHENIX (1.20) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 17.960 | 17.960 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.072 | 0.026 | 0.717 |
Rmeas | 0.086 | 0.031 | 0.867 |
Rpim | 0.046 | 0.017 | 0.478 |
Total number of observations | 41352 | 212 | 1860 |
Number of reflections | 12949 | 78 | 648 |
<I/σ(I)> | 7.8 | 21.9 | 1.4 |
Completeness [%] | 96.0 | 77.9 | 97.4 |
Redundancy | 3.2 | 2.7 | 2.9 |
CC(1/2) | 0.997 | 0.999 | 0.604 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3.7 | 298 | 30% PEG4K, 0.2M AMSO4, 0.1M AcONa |