4G8N
Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist G8M
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-15 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 67.821, 67.821, 122.881 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.689 - 2.300 |
R-factor | 0.1732 |
Rwork | 0.170 |
R-free | 0.22790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s9e |
RMSD bond length | 0.010 |
RMSD bond angle | 1.075 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 67.821 | 29.689 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.026 | 0.378 | |
Total number of observations | 3301 | 15509 | |
Number of reflections | 13403 | ||
<I/σ(I)> | 9.3 | 21.6 | 2 |
Completeness [%] | 100.0 | 98.6 | 100 |
Redundancy | 7.9 | 6.6 | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 2.2M sodium/potassium phosphate. Crystals were grown in the presence of glutamate and soaked with new ligand G8M, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |