3C4M
Structure of human parathyroid hormone in complex with the extracellular domain of its G-protein-coupled receptor (PTH1R)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2007-06-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97869 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.919, 116.791, 78.416 |
| Unit cell angles | 90.00, 108.80, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1anf |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.187 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.061 | 0.463 |
| Number of reflections | 76526 | |
| <I/σ(I)> | 18.13 | 2.15 |
| Completeness [%] | 98.0 | 94.1 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 30% PPG P400, 0.1 M NaCacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
