3GSL
Crystal structure of PSD-95 tandem PDZ domains 1 and 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-06 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.244, 62.511, 59.342 |
Unit cell angles | 90.00, 99.25, 90.00 |
Refinement procedure
Resolution | 32.310 - 2.050 |
R-factor | 0.2209 |
Rwork | 0.214 |
R-free | 0.28146 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 2I1N 2fe5 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.631 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.1.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.058 | 0.349 |
Number of reflections | 25616 | |
<I/σ(I)> | 21.2 | 3.1 |
Completeness [%] | 98.1 | 96.3 |
Redundancy | 3.7 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 35% v/v 2-methyl-2,4-pentanediol, 0.1M Tris-HCl pH 7.0. 0.2M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 277K |