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 |