3IPA
Structure of ATU2422-GABA receptor in complex with alanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.990, 42.990, 66.180 |
| Unit cell angles | 90.00, 109.63, 90.00 |
Refinement procedure
| Resolution | 19.875 - 1.550 |
| R-factor | 0.1721 |
| Rwork | 0.171 |
| R-free | 0.20240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 3IP5 3ip6 3ip7 3ip9 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.888 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.640 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 45887 | |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 99.5 | 99 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris-HCl, 6.5% glycerol, 2.5 M ammonium sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
