3SM9
Crystal Structure of Metabotropic glutamate receptor 3 precursor in presence of LY341495 antagonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97934 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 83.402, 98.633, 203.513 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.840 - 2.260 |
| R-factor | 0.2024 |
| Rwork | 0.201 |
| R-free | 0.22680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mq4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 6.100 | 2.250 |
| Rmerge | 0.076 | 0.034 | 0.876 |
| Number of reflections | 39493 | ||
| <I/σ(I)> | 11.5 | 2.08 | |
| Completeness [%] | 99.9 | 98.6 | 99.8 |
| Redundancy | 5.8 | 5.3 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.5 M Ammonium Sulfate 0.1 M BisTris Propane pH 7.0 , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
