2XX9
Crystal structure of 1-((2-fluoro-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS4 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 115.188, 164.152, 47.456 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 94.490 - 1.970 |
| R-factor | 0.18679 |
| Rwork | 0.185 |
| R-free | 0.22388 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.437 |
| Data reduction software | HKL |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.000 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.110 | 0.370 |
| Number of reflections | 64133 | |
| <I/σ(I)> | 13.9 | 4.7 |
| Completeness [%] | 98.9 | 98 |
| Redundancy | 6.5 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
