3NYA
Crystal structure of the human beta2 adrenergic receptor in complex with the neutral antagonist alprenolol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-19 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.577, 75.730, 173.403 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.940 - 3.160 |
| R-factor | 0.23479 |
| Rwork | 0.232 |
| R-free | 0.28962 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d4s |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.045 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.350 |
| High resolution limit [Å] | 3.160 | 3.160 |
| Number of reflections | 8952 | |
| <I/σ(I)> | 6.4 | 2.09 |
| Completeness [%] | 92.1 | 88.9 |
| Redundancy | 3.02 | 2.83 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 293 | 100 mM Bis-Tris Propane pH 6.6-6.8, 120 mM Na-tartrate, 3% 1,3 butanediol, 25-30% PEG 400, Lipidic Cubic Phase (LCP) Crystallization, temperature 293-295K | ||
| 1 | 293 | 100 mM Bis-Tris Propane pH 6.6-6.8, 120 mM Na-tartrate, 3% 1,3 butanediol, 25-30% PEG 400, Lipidic Cubic Phase (LCP) Crystallization, temperature 293-295K |
