6RUQ
Structure of GluA2cryst in complex the antagonist ZK200775 and the negative allosteric modulator GYKI53655 at 4.65 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-19 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.773, 306.596, 107.728 |
| Unit cell angles | 90.00, 94.26, 90.00 |
Refinement procedure
| Resolution | 51.100 - 4.650 |
| R-factor | 0.2448 |
| Rwork | 0.242 |
| R-free | 0.29140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5l1h |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.584 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.2.14) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 53.710 | 53.710 | 4.770 |
| High resolution limit [Å] | 4.650 | 20.800 | 4.650 |
| Rmerge | 0.045 | 1.032 | |
| Rmeas | 0.051 | 1.135 | |
| Rpim | 0.022 | 0.461 | |
| Total number of observations | 2008 | 13313 | |
| Number of reflections | 31560 | 357 | 2317 |
| <I/σ(I)> | 6.8 | 29.2 | 1.9 |
| Completeness [%] | 99.1 | 94.8 | 99.6 |
| Redundancy | 5.6 | 5.6 | 5.7 |
| CC(1/2) | 0.991 | 0.985 | 0.313 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6 | 279 | 0.1 M MES, 12 % PEG 20,000 |
