4LDE
Structure of beta2 adrenoceptor bound to BI167107 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 | 38.400 - 2.790 |
| R-factor | 0.2284 |
| Rwork | 0.227 |
| R-free | 0.25590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p0g |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.725 |
| Data reduction software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1241)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.400 | 2.900 |
| High resolution limit [Å] | 2.790 | 2.800 |
| Rmerge | 0.175 | 0.584 |
| Number of reflections | 25028 | |
| <I/σ(I)> | 4.5 | 1.8 |
| Completeness [%] | 95.8 | 81.9 |
| Redundancy | 3.9 | 2.9 |
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 |
