3QJM
Structural flexibility of Shank PDZ domain is important for its binding to different ligands
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.625, 57.625, 144.042 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.368 - 2.311 |
R-factor | 0.2362 |
Rwork | 0.235 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.135 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 10106 | |
Completeness [%] | 89.5 | 83.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | 100mM sodium acetate(pH 5.5-6.0), 0.8M lithium sulfate, 0.7M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 294K |