3S2V
Crystal Structure of the Ligand Binding Domain of GluK1 in Complex with an Antagonist (S)-1-(2'-Amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione at 2.5 A Resolution
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 | 2009-10-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.459, 93.353, 107.171 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.779 - 2.500 |
| R-factor | 0.1817 |
| Rwork | 0.178 |
| R-free | 0.25650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f34 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.241 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.300 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.094 | 0.240 |
| Number of reflections | 21923 | |
| <I/σ(I)> | 5.6 | 1.8 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 279 | 24.4% PEG4000, 0.3 M lithium sulfate, 0.1 M phosphate-citrate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K |
