5OEW
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with glutamate and positive allosteric modulator BPAM538
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 | 2013-05-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 114.702, 164.374, 47.328 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.521 - 2.000 |
R-factor | 0.1684 |
Rwork | 0.167 |
R-free | 0.18890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tdj |
RMSD bond length | 0.003 |
RMSD bond angle | 0.606 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.5.1) |
Refinement software | PHENIX (1.10) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.270 | 28.521 | 2.110 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.045 | 0.313 | |
Rmeas | 0.099 | 0.051 | 0.359 |
Rpim | 0.046 | 0.024 | 0.172 |
Total number of observations | 253105 | ||
Number of reflections | 61361 | ||
<I/σ(I)> | 10.3 | 13.2 | 2 |
Completeness [%] | 99.8 | 97.2 | 100 |
Redundancy | 4.1 | 3.9 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 279 | 18% PEG4000, 0.23M lithium-sulfate, 0.1M phosphate-citrate |