1M5D
X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH Br-HIBO AT 1.73 A RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2001-08-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.802 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 87.139, 63.681, 47.914 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.730 |
| Rwork | 0.186 |
| R-free | 0.21400 * |
| Structure solution method | Difference Fourier |
| Starting model (for MR) | 1M5C (S1S2J:Br-HIBO). |
| RMSD bond length | 0.005 |
| RMSD bond angle | 21.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.0) |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.770 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.072 | 0.393 |
| Number of reflections | 27834 * | |
| <I/σ(I)> | 14.3 | 4 |
| Completeness [%] | 97.9 | 97.4 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 4 * | PEG 3350, Li2SO4, phosphate-citrate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | HEPES | 10 (mM) | pH7.0 |
| 3 | 1 | drop | 20 (mM) | ||
| 4 | 1 | drop | EDTA | 1 (mM) | |
| 5 | 1 | drop | (S)-Br-HIBO | 8 (mM) | |
| 6 | 1 | reservoir | PEG3350 | 15-20 (%) | |
| 7 | 1 | reservoir | 0.2-0.27 (M) | ||
| 8 | 1 | reservoir | phosphate | 0.1 (M) | pH4.5 |
