8W1V
The beta2 adrenergic receptor bound to a bitopic ligand
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2020-07-15 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.680, 146.770, 91.830 |
Unit cell angles | 90.00, 107.06, 90.00 |
Refinement procedure
Resolution | 48.440 - 3.000 |
R-factor | 0.2501 |
Rwork | 0.248 |
R-free | 0.29190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.705 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.440 | 3.100 |
High resolution limit [Å] | 2.920 | 3.000 |
Number of reflections | 40547 | 6655 |
<I/σ(I)> | 8.25 | |
Completeness [%] | 99.9 | |
Redundancy | 55.5 | |
CC(1/2) | 0.984 | 0.564 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | 100 mM Tris buffer (pH 8.0), 100 to 175 mM lithium sulfate, 38% to 42% PEG400, and 10 mM EDTA |