6QJK
Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group P43
Replaces: 5OIHExperimental 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 | 2014-07-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 43 |
Unit cell lengths | 42.854, 42.854, 46.909 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.490 - 1.046 |
R-factor | 0.138 |
Rwork | 0.138 |
R-free | 0.14520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k82 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.6) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.490 | 19.490 | 1.060 |
High resolution limit [Å] | 1.050 | 5.630 | 1.050 |
Rmerge | 0.042 | 0.025 | 0.522 |
Rmeas | 0.049 | 0.029 | 0.607 |
Rpim | 0.025 | 0.014 | 0.306 |
Total number of observations | 141760 | 996 | 6972 |
Number of reflections | 38212 | 264 | 1888 |
<I/σ(I)> | 13.2 | 35 | 2.2 |
Completeness [%] | 95.4 | 96.2 | 92.3 |
Redundancy | 3.7 | 3.8 | 3.7 |
CC(1/2) | 0.999 | 0.999 | 0.760 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.17 M ammonium sulphate , 25.5% PEG 8000 , 15% Glycerol |