8AH6
Crystal Structure of the third PDZ domain of PSD-95 protein in the space group P21 at pH 4.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-18 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 28.856, 87.495, 32.432 |
Unit cell angles | 90.00, 92.56, 90.00 |
Refinement procedure
Resolution | 19.680 - 1.630 |
R-factor | 0.164 |
Rwork | 0.163 |
R-free | 0.18030 |
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] | 19.680 | 19.680 | 1.660 |
High resolution limit [Å] | 1.630 | 8.930 | 1.630 |
Rmerge | 0.078 | 0.042 | 0.707 |
Rmeas | 0.089 | 0.048 | 0.804 |
Rpim | 0.042 | 0.023 | 0.379 |
Total number of observations | 83547 | 450 | 4147 |
Number of reflections | 19832 | 117 | 958 |
<I/σ(I)> | 9.6 | 23.5 | 2.1 |
Completeness [%] | 98.9 | 90.2 | 100 |
Redundancy | 4.2 | 3.8 | 4.3 |
CC(1/2) | 0.997 | 0.998 | 0.823 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 298 | 30% PEG 4000, 0.2M Ammonium Sulfate, 0.1M sodium acetate |