9TNG
Crystal Structure of the third PDZ domain of PSD-95 protein E401R mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-03-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.905, 36.707, 62.833 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.320 - 0.950 |
| R-factor | 0.1421 |
| Rwork | 0.141 |
| R-free | 0.16790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.279 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.320 | 0.970 |
| High resolution limit [Å] | 0.950 | 0.950 |
| Rmerge | 0.027 | 0.896 |
| Rmeas | 0.031 | 1.164 |
| Rpim | 0.015 | 0.735 |
| Total number of observations | 175060 | 2233 |
| Number of reflections | 45187 | 1114 |
| <I/σ(I)> | 19.7 | 0.9 |
| Completeness [%] | 93.1 | |
| Redundancy | 3.9 | 2 |
| CC(1/2) | 0.999 | 0.437 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.2 M ammonium sulphate, 25% w/v PEG 4000, 0.1 M sodium acetate |
