1Q3P
Crystal structure of the Shank PDZ-ligand complex reveals a class I PDZ interaction and a novel PDZ-PDZ dimerization
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6B |
| Synchrotron site | PAL/PLS |
| Beamline | 6B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-04-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 60.763, 60.763, 157.902 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.250 |
| R-factor | 0.251 |
| Rwork | 0.251 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q3o |
| RMSD bond length | 0.007 |
| RMSD bond angle | 25.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.041 | 0.258 |
| Number of reflections | 61853 | |
| <I/σ(I)> | 50.9 | 6.6 |
| Completeness [%] | 96.2 | 95.6 * |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 294 | Park, S.H., (2002) Acta Cryst., D58, 1353. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | pH7.4 |
| 3 | 1 | drop | peptide | 2 (mM) | |
| 4 | 1 | reservoir | PEG6000 | 16 (%(w/v)) | |
| 5 | 1 | reservoir | 0.2 (M) | ||
| 6 | 1 | reservoir | MES-NaOH | 100 (mM) | pH6.5 |
