4LDL
Structure of beta2 adrenoceptor bound to hydroxybenzylisoproterenol and an engineered nanobody
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] | 78 |
| Detector technology | CCD |
| Collection date | 2012-12-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.670, 66.480, 303.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.265 - 3.100 |
| R-factor | 0.2303 |
| Rwork | 0.229 |
| R-free | 0.25440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lde |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.590 |
| Data reduction software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1243)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.300 | 3.200 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.177 | 0.659 |
| Number of reflections | 18053 | |
| <I/σ(I)> | 6.2 | 1.9 |
| Completeness [%] | 94.5 | 95.4 |
| Redundancy | 4.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6.5 | 293 | 100 mM MES pH 6.2-6.7, 40-100 mM ammonium phosphate dibasic, 18-24% PEG400, LIPIDIC CUBIC PHASE, temperature 293K |
