3R7X
Crystal Structure Analysis of a Quinazolinedione sulfonamide bound to human GluR2: A Novel Class of Competitive AMPA Receptor Antagonists with Oral Activity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-09-09 |
| Detector | MAR |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.360, 88.578, 97.626 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.2064 |
| Rwork | 0.204 |
| R-free | 0.25040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.144 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.170 |
| High resolution limit [Å] | 2.100 | 4.510 | 2.100 |
| Rmerge | 0.066 | 0.052 | 0.108 |
| Number of reflections | 29462 | ||
| <I/σ(I)> | 14.5 | ||
| Completeness [%] | 99.3 | 97.5 | 95.6 |
| Redundancy | 4.9 | 4.7 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | HANGING DROP | 4.6 | 277 | 100 mM sodium acetate, 200 mM ammonium acetate, 28% PEG4000, pH 4.6, HANGING DROP, temperature 277K |
