3RTW
Nitrowillardiine bound to the ligand binding domain of GluA2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-10 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 48.077, 114.102, 165.048 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.572 - 2.095 |
| R-factor | 0.2069 |
| Rwork | 0.205 |
| R-free | 0.25940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dp6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.069 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.095 | 2.100 |
| Rmerge | 0.103 | 0.654 |
| Number of reflections | 47765 | |
| <I/σ(I)> | 17.157 | 2 |
| Completeness [%] | 88.0 | 85.8 |
| Redundancy | 9.2 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 14-15% PEG8000, 0.1-0.15 M zinc acetate, 0.25 M ammonium sulfate, 0.1 M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
