4IGR
Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist ZA302
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 | 2012-03-09 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 68.180, 68.180, 126.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.866 - 2.650 |
R-factor | 0.2014 |
Rwork | 0.198 |
R-free | 0.26710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s9e |
RMSD bond length | 0.017 |
RMSD bond angle | 1.166 |
Data reduction software | MOSFLM |
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] | 42.173 | 42.173 | 2.790 |
High resolution limit [Å] | 2.650 | 8.380 | 2.650 |
Rmerge | 0.054 | 0.390 | |
Rmeas | 0.062 | 0.442 | |
Rpim | 0.029 | 0.201 | |
Total number of observations | 1270 | 5987 | |
Number of reflections | 9062 | ||
<I/σ(I)> | 9.5 | 16.2 | 3.7 |
Completeness [%] | 98.7 | 92.1 | 99.9 |
Redundancy | 4.6 | 3.9 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 280 | 1.8M sodium/potassium phosphate, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 280K |