3GBA
X-ray structure of iGluR5 ligand-binding core (S1S2) in complex with dysiherbaine at 1.35A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2006-10-05 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.872, 66.902, 90.342 |
| Unit cell angles | 92.69, 94.66, 100.82 |
Refinement procedure
| Resolution | 89.800 - 1.350 |
| R-factor | 0.165 |
| Rwork | 0.165 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ycj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.174 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.13) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 89.862 | 31.450 | 1.420 |
| High resolution limit [Å] | 1.350 | 4.270 | 1.350 |
| Rmerge | 0.079 | 0.056 | 0.342 |
| Total number of observations | 22242 | 105516 | |
| Number of reflections | 213789 | ||
| <I/σ(I)> | 5.073 | 8.7 | 1.7 |
| Completeness [%] | 94.8 | 92.3 | 90.2 |
| Redundancy | 3.6 | 3.4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 280 | PEG8000, ammonium sulfate, phosphate-citrate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 280K |
