3H6U
Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS1493 at 1.85 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 88.462, 64.086, 47.272 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.470 - 1.850 |
| R-factor | 0.181 |
| Rwork | 0.181 |
| R-free | 0.21500 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1m5c |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.210 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.470 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.058 | 0.419 |
| Number of reflections | 24228 | |
| <I/σ(I)> | 33.1 | 5.2 |
| Completeness [%] | 98.7 | 91.6 |
| Redundancy | 7.9 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 279 | 25 % PEG 8000, 0.1 M Lithium sulfate, 0.1 M Phosphate-citrate pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K |
