3I4W
Crystal Structure of the third PDZ domain of PSD-95
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM16 |
Synchrotron site | ESRF |
Beamline | BM16 |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2008-03-03 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 |
Unit cell lengths | 43.322, 42.152, 47.602 |
Unit cell angles | 90.00, 90.00, 92.08 |
Refinement procedure
Resolution | 47.619 - 1.350 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1be9 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.163 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.619 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.062 | 0.411 |
Number of reflections | 67847 | |
<I/σ(I)> | 16.074 | 1.84 |
Completeness [%] | 92.0 | 92.9 |
Redundancy | 2.4 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | capillary contradiffusion | 4.6 | 298 | 0.2M ammonium sulphate, 0.1M ammonium acetate trihydrate, 25%(w/v) PEG 4000, pH 4.6, capillary contradiffusion, temperature 298K |