3PDS
Irreversible Agonist-Beta2 Adrenoceptor Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-30 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 282.440, 40.040, 65.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.210 - 3.500 |
| R-factor | 0.2407 |
| Rwork | 0.238 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rh1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.890 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.000 | 3.690 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.202 | 0.443 |
| Number of reflections | 9385 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 94.0 | 94 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6.7 | 293 | 26 %(v/v) PEG 400, 200 mM Li2SO4, 4 %(v/v) DMSO, 3.5 %(v/v) 1,4-butandediol, 100 mM MES pH 6.7, Lipidic Cubic Phase, temperature 293K |
