4YMA
Structure of the ligand-binding domain of GluA2 in complex with the antagonist CNG10109
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-13 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.880, 65.250, 91.550 |
Unit cell angles | 90.00, 92.36, 90.00 |
Refinement procedure
Resolution | 36.389 - 1.895 |
R-factor | 0.1733 |
Rwork | 0.170 |
R-free | 0.22780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tza |
RMSD bond length | 0.006 |
RMSD bond angle | 1.000 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.5.1) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 91.472 | 36.389 | 2.000 |
High resolution limit [Å] | 1.895 | 5.990 | 1.890 |
Rmerge | 0.041 | 0.372 | |
Rmeas | 0.095 | ||
Rpim | 0.047 | 0.024 | 0.211 |
Total number of observations | 190896 | 6100 | 27125 |
Number of reflections | 45862 | ||
<I/σ(I)> | 11.3 | 21.4 | 3.6 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 4.2 | 4 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 280 | PEG4000, lithium sulfate, phosphate citrate |