5NIH
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with agonist LM-12b at 1.3 A resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8729 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.577, 87.954, 96.535 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.270 - 1.300 |
| R-factor | 0.128 |
| Rwork | 0.127 |
| R-free | 0.15800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m5b |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.026 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.535 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.465 | |
| Number of reflections | 131334 | |
| <I/σ(I)> | 14.1 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 279 | 24.4% PEG4000, 0.3 M ammonium sulfate, 0.1 M phosphate-citrate buffer |
