3KS9
Metabotropic glutamate receptor mGluR1 complexed with LY341495 antagonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.230, 96.546, 97.545 |
| Unit cell angles | 90.00, 106.67, 90.00 |
Refinement procedure
| Resolution | 93.440 - 1.900 |
| R-factor | 0.207 |
| Rwork | 0.206 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ewk |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.187 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 93.440 | 40.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.150 | 1.900 |
| Rmerge | 0.064 | 0.032 | 0.559 |
| Number of reflections | 109274 | ||
| <I/σ(I)> | 9.7 | ||
| Completeness [%] | 99.1 | 98.7 | 93.2 |
| Redundancy | 3.7 | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 300 | 20% PEG3350, 0.2M KSCN, protein at 5mg/mL plus 2mM LY341495. Cryoprotectant used 0.9V well solution plus 0.1V 80% Glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
