5BUU
Crystal structure of the GluA2 ligand-binding domain (L483Y-N754S) in complex with glutamate and BPAM-321 at 2.07 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 | 2012-10-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9100 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 99.209, 122.270, 47.652 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.652 - 2.070 |
| R-factor | 0.206 |
| Rwork | 0.204 |
| R-free | 0.24990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tkd molA |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.699 |
| 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] | 47.652 | 47.652 | 2.180 |
| High resolution limit [Å] | 2.070 | 6.550 | 2.070 |
| Rmerge | 0.030 | 0.332 | |
| Rmeas | 0.065 | ||
| Rpim | 0.032 | 0.019 | 0.180 |
| Total number of observations | 147486 | 4640 | 21375 |
| Number of reflections | 36199 | ||
| <I/σ(I)> | 13.9 | 30.5 | 4.1 |
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 4.1 | 3.6 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 279 | 15.2 % PEG4000, 0.2 M ammonium-sulfate, 0.1 M phosphate-citrate |
