5FHO
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-chlorobenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at 2.3 A resolution
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 | 2013-12-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.983, 109.982, 144.208 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.046 - 2.300 |
| R-factor | 0.1747 |
| Rwork | 0.173 |
| R-free | 0.21620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2P2A (molB) |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.540 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.070 | 45.956 | 2.420 |
| High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
| Rmerge | 0.019 | 0.331 | |
| Rmeas | 0.077 | ||
| Rpim | 0.038 | 0.011 | 0.184 |
| Total number of observations | 208313 | 6560 | 30004 |
| Number of reflections | 50972 | ||
| <I/σ(I)> | 14.6 | 25.4 | 5 |
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 4.1 | 3.7 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 280 | PEG4000 ammonium sulfate acetate buffer pH 5.5 |
