8AH5
Crystal Structure of the third PDZ domain of PSD-95 protein in the space group P212121 at pH 4.6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-18 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 28.845, 32.344, 88.305 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.350 - 1.250 |
R-factor | 0.1495 |
Rwork | 0.148 |
R-free | 0.18460 |
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] | 19.350 | 19.350 | 1.270 |
High resolution limit [Å] | 1.250 | 6.850 | 1.250 |
Rmerge | 0.130 | 0.082 | 0.849 |
Rmeas | 0.136 | 0.088 | 0.946 |
Rpim | 0.040 | 0.029 | 0.406 |
Total number of observations | 242181 | 1729 | 3829 |
Number of reflections | 22582 | 180 | 754 |
<I/σ(I)> | 9.9 | 23.5 | 1.6 |
Completeness [%] | 95.6 | 96.1 | 67 |
Redundancy | 10.7 | 9.6 | 5.1 |
CC(1/2) | 0.996 | 0.988 | 0.749 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 30% PEG4K, 0.2M AMSO4, 0.1M AcONa |