5O9A
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L504Y-N775S) in complex with glutamate and BPAM121 at 1.78 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 | 2015-02-19 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.308, 98.408, 121.787 |
Unit cell angles | 90.00, 90.53, 90.00 |
Refinement procedure
Resolution | 49.204 - 1.780 |
R-factor | 0.1547 |
Rwork | 0.153 |
R-free | 0.17890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tkd |
RMSD bond length | 0.005 |
RMSD bond angle | 0.786 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 121.782 | 49.204 | 1.880 |
High resolution limit [Å] | 1.780 | 5.630 | 1.780 |
Rmerge | 0.026 | 0.377 | |
Rmeas | 0.074 | 0.031 | 0.445 |
Rpim | 0.038 | 0.016 | 0.233 |
Total number of observations | 395853 | 12653 | 56042 |
Number of reflections | 106755 | 3481 | 15582 |
<I/σ(I)> | 14.7 | 34 | 3.5 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 3.7 | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 279 | 18% PEG4000, 0.23 M lithium sulfate, 0.1 M phosphate citrate pH 4.5 |