5FBH
Crystal structure of the extracellular domain of human calcium sensing receptor with bound Gd3+
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] | 100 |
Detector technology | CCD |
Collection date | 2015-11-21 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.6985 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 172.107, 83.106, 94.470 |
Unit cell angles | 90.00, 105.15, 90.00 |
Refinement procedure
Resolution | 46.080 - 2.700 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.23600 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.578 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 5.810 | 2.700 |
Rmerge | 0.093 | 0.059 | 0.772 |
Rmeas | 0.110 | 0.072 | 0.905 |
Rpim | 0.058 | 0.040 | 0.468 |
Total number of observations | 125177 | ||
Number of reflections | 34777 | ||
<I/σ(I)> | 11.8 | ||
Completeness [%] | 98.9 | 95.2 | 99.9 |
Redundancy | 3.6 | 3.3 | 3.6 |
CC(1/2) | 0.991 | 0.645 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 10% PEG 8000, 200 mM MgCl2, 10 mM CaCl2 and 100 mM Tris-HCl, 0.5 mM GdCl3 |