8OEK
Crystal structure of the HormR-GAIN domains of adhesion GPCR ADGRB2 (BAI2) in the uncleaved state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.77121 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 84.864, 95.183, 49.465 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.340 - 2.220 |
R-factor | 0.2318 |
Rwork | 0.229 |
R-free | 0.28660 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.658 |
Data reduction software | XDS (Feb 5, 2021 (BUILT 20210323)) |
Data scaling software | Aimless (0.7.7) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.343 | 2.447 |
High resolution limit [Å] | 2.216 | 2.216 |
Rmerge | 0.214 | 1.855 |
Rmeas | 0.223 | 1.983 |
Rpim | 0.062 | 0.583 |
Number of reflections | 13145 | 658 |
<I/σ(I)> | 9.9 | 1.3 |
Completeness [%] | 63.8 | 12.6 |
Redundancy | 12.5 | 10.5 |
CC(1/2) | 0.997 | 0.567 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 100 mM sodium cacodylate pH 6.5, 200 mM MgCl2 and 20 % (w/v) PEG 8,000 |