5FHN
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-methylbenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at 1.6 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 | 2013-11-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.919490 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 137.110, 46.380, 46.030 |
Unit cell angles | 90.00, 92.21, 90.00 |
Refinement procedure
Resolution | 27.994 - 1.600 |
R-factor | 0.1573 |
Rwork | 0.156 |
R-free | 0.18580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p2a |
RMSD bond length | 0.009 |
RMSD bond angle | 1.009 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.994 | 27.994 | 1.690 |
High resolution limit [Å] | 1.600 | 5.060 | 1.600 |
Rmerge | 0.033 | 0.373 | |
Rmeas | 0.077 | ||
Rpim | 0.041 | 0.022 | 0.231 |
Total number of observations | 135601 | 4214 | 19559 |
Number of reflections | 38281 | ||
<I/σ(I)> | 10.7 | 19.6 | 3.4 |
Completeness [%] | 99.9 | 98.7 | 99.6 |
Redundancy | 3.5 | 3.3 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 280 | 18% PEG4000 0.1 M ammonium sulfate 0.1 M phosphate-citrate buffer pH 4.5 |