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 |