6QJL
Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group P21
Replaces: 5OIIExperimental 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 1 21 1 |
Unit cell lengths | 41.313, 47.023, 43.253 |
Unit cell angles | 90.00, 92.19, 90.00 |
Refinement procedure
Resolution | 31.821 - 1.043 |
R-factor | 0.1527 |
Rwork | 0.151 |
R-free | 0.17450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5OIH |
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] | 47.020 | 47.020 | 1.060 |
High resolution limit [Å] | 1.040 | 5.710 | 1.040 |
Rmerge | 0.049 | 0.039 | 0.475 |
Rmeas | 0.058 | 0.046 | 0.564 |
Rpim | 0.030 | 0.024 | 0.300 |
Number of reflections | 153886 | 498 | 3890 |
<I/σ(I)> | 12 | ||
Completeness [%] | 99.3 | 96.3 | 99.6 |
Redundancy | 3.5 | 3.4 | 3.3 |
CC(1/2) | 0.998 | 0.997 | 0.865 |
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 |