1Q3O
Crystal structure of the Shank PDZ-ligand complex reveals a class I PDZ interaction and a novel PDZ-PDZ dimerization
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-18B |
Synchrotron site | Photon Factory |
Beamline | BL-18B |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2000-12-13 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9205 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.000, 50.340, 51.770 |
Unit cell angles | 90.00, 106.30, 90.00 |
Refinement procedure
Resolution | 27.730 - 1.800 |
R-factor | 0.234 |
Rwork | 0.234 |
R-free | 0.25100 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 25.100 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.700 | 1.890 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.048 | 0.377 |
Number of reflections | 58394 | |
<I/σ(I)> | 13.8 | 2.7 |
Completeness [%] | 99.0 | 99 |
Redundancy | 3 | 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. * |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 294 | Park, S.H., (2002) Acta Cryst., D58, 1353. * |
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 | reservoir | PEG20000 | 10 (%(w/v)) | |
4 | 1 | reservoir | 0.2 (M) | ||
5 | 1 | reservoir | glycerol | 20 (%(v/v)) | |
6 | 1 | reservoir | sodium acetate | 100 (mM) | pH4.5 |