4ZGM
Crystal structure of Semaglutide peptide backbone in complex with the GLP-1 receptor extracellular domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-01-09 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 95.610, 35.790, 42.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.650 - 1.800 |
| R-factor | 0.1644 |
| Rwork | 0.163 |
| R-free | 0.19280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3iol |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.346 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1938) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.650 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.049 | 0.430 |
| Number of reflections | 14102 | |
| <I/σ(I)> | 27.45 | 5.5 |
| Completeness [%] | 99.3 | 97.9 |
| Redundancy | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.24 M Sodium malonate pH 7.0, 20% (w/v) PEG3350 (JCSG screen QIAGEN) and 10 mM hexaethylene glycol monooctyl ether (Detergent Screen HT Hampton Research). |
