3H6V
Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS5206 at 2.10 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 96.5 |
| Detector technology | CCD |
| Collection date | 2005-12-14 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 99.558, 122.035, 47.724 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.860 - 2.100 |
| R-factor | 0.188 |
| Rwork | 0.188 |
| R-free | 0.22800 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1mm6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.190 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.13) |
| Phasing software | REFMAC |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.890 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.119 | 0.386 |
| Number of reflections | 34807 | |
| <I/σ(I)> | 4.2 | 1.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 279 | 20 % PEG 4000, 0.3 M Lithium sulfate, 0.1 M Phosphate-citrate pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K |
