3NY9
Crystal structure of the human beta2 adrenergic receptor in complex with a novel inverse agonist
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-19 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.580, 75.900, 174.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.770 - 2.840 |
R-factor | 0.22183 |
Rwork | 0.219 |
R-free | 0.27839 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d4s |
RMSD bond length | 0.008 |
RMSD bond angle | 1.230 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.980 |
High resolution limit [Å] | 2.840 | 2.840 |
Number of reflections | 12234 | |
<I/σ(I)> | 7.08 | 1.99 |
Completeness [%] | 91.4 | 82 |
Redundancy | 3.84 | 2.93 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 293 | 100 mM Tris/HCl pH 7.5-8, 5% 1,4 butanediol, 220 mM Na-formate, 27% PEG 400, Lipidic Cubic Phase (LCP) Crystallization, temperature 293-295K | ||
1 | 293 | 100 mM Tris/HCl pH 7.5-8, 5% 1,4 butanediol, 220 mM Na-formate, 27% PEG 400, Lipidic Cubic Phase (LCP) Crystallization, temperature 293-295K |