5FHM
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-(aminomethyl)benzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at resolution 1.55 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 | 2014-05-28 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.510, 94.056, 96.112 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.028 - 1.550 |
R-factor | 0.1381 |
Rwork | 0.137 |
R-free | 0.15850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2P2A (molB) |
RMSD bond length | 0.009 |
RMSD bond angle | 1.022 |
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] | 48.060 | 48.056 | 1.630 |
High resolution limit [Å] | 1.550 | 4.900 | 1.550 |
Rmerge | 0.025 | 0.407 | |
Rmeas | 0.061 | ||
Rpim | 0.021 | 0.010 | 0.151 |
Total number of observations | 678969 | 21590 | 97380 |
Number of reflections | 82889 | ||
<I/σ(I)> | 23.1 | 53.1 | 5.2 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 8.2 | 7.6 | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 280 | PEG4000 lithium sulfate sodium acetate buffer pH 5.5 |