6QJG
Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 2
Replaces: 5OI6Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-25 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.965 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 139.594, 33.501, 96.424 |
| Unit cell angles | 90.00, 128.93, 90.00 |
Refinement procedure
| Resolution | 19.439 - 2.003 |
| R-factor | 0.2013 |
| Rwork | 0.199 |
| R-free | 0.24580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k82 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.8) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.440 | 19.440 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.960 | 2.000 |
| Rmerge | 0.053 | 0.022 | 0.438 |
| Rmeas | 0.066 | 0.027 | 0.542 |
| Rpim | 0.038 | 0.015 | 0.314 |
| Total number of observations | 62417 | ||
| Number of reflections | 23033 | 249 | 1742 |
| <I/σ(I)> | 13.4 | ||
| Completeness [%] | 96.7 | 82.4 | 99.2 |
| Redundancy | 2.7 | 2.8 | 2.8 |
| CC(1/2) | 0.997 | 0.999 | 0.812 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1 M MES, 30 % PEG 8000 |
