6DRZ
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
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 | PIXEL |
| Collection date | 2016-08-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.095, 119.283, 172.624 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.955 - 3.102 |
| R-factor | 0.2265 |
| Rwork | 0.225 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 4IB4 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.709 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.190 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.163 | 0.845 |
| Number of reflections | 10618 | 883 |
| <I/σ(I)> | 8.7 | 1.2 |
| Completeness [%] | 93.4 | 94.4 |
| Redundancy | 3.3 | 3.3 |
| CC(1/2) | 0.980 | 0.612 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 100 mM Tris/HCl pH 7.3-7.5, 40-100 mM MgCl2, 30% v/v PEG400 |
