3H6T
Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and cyclothiazide at 2.25 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 | 114.486, 163.136, 47.354 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.840 - 2.250 |
R-factor | 0.182 |
Rwork | 0.182 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ftj |
RMSD bond length | 0.006 |
RMSD bond angle | 1.330 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | PHASER (1.3.3) |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.840 | 2.370 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.084 | 0.346 |
Number of reflections | 42613 | |
<I/σ(I)> | 7.8 | 1.9 |
Completeness [%] | 99.3 | 100 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 279 | 25 % PEG 4000, 0.3 M Zinc acetate, 0.1 M Cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K |