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 |