3H6W
Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS5217 at 1.50 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-18 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8080 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 47.010, 47.179, 118.412 |
| Unit cell angles | 90.00, 91.88, 90.00 |
Refinement procedure
| Resolution | 17.380 - 1.490 |
| Rwork | 0.189 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ftj |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.360 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (1.3.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.380 | 1.550 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.041 | 0.405 |
| Number of reflections | 72325 | |
| <I/σ(I)> | 25.2 | 2.6 |
| Completeness [%] | 85.6 | 95.4 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 279 | 20 % PEG 4000, 0.1 M Ammonium sulfate, 0.1 M Cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K |
