3GBB
X-ray structure of iGluR5 ligand-binding core (S1S2) in complex with MSVIII-19 at 2.10A 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 | 2006-05-26 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.043 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.900, 45.120, 66.980 |
| Unit cell angles | 100.89, 92.31, 94.65 |
Refinement procedure
| Resolution | 29.280 - 2.100 |
| Rwork | 0.201 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ycj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.243 |
| Data reduction software | xia2 |
| Data scaling software | SCALA (3.2.19) |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.668 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.081 | 0.271 |
| Total number of observations | 9087 | |
| Number of reflections | 28932 | |
| <I/σ(I)> | 8.511 | 2.8 |
| Completeness [%] | 96.4 | 94.5 |
| Redundancy | 2.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 280 | PEG4000, LiSO4, phosphate-citrate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 280K |
