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 |