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 |
