4Q30
Nitrowillardiine bound to the ligand binding domain of GluA2 at pH 3.5
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 | 2013-02-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.977 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 47.797, 113.270, 164.321 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.037 - 2.030 |
| R-factor | 0.1873 |
| Rwork | 0.186 |
| R-free | 0.23040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rtw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.057 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.135 | 0.751 |
| <I/σ(I)> | 25.354 | 4 |
| Completeness [%] | 99.6 | 97.7 |
| Redundancy | 7.1 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 277 | 14-15% PEG 8K, 0.1 M sodium cacodylate, 0.1-0.15 M zinc acetate, 0.25 M ammonium sulfate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
