5UNG
XFEL structure of human angiotensin II type 2 receptor (Orthorhombic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl] methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SLAC LCLS BEAMLINE CXI |
Synchrotron site | SLAC LCLS |
Beamline | CXI |
Temperature [K] | 294 |
Detector technology | PIXEL |
Collection date | 2015-12-09 |
Detector | CS-PAD CXI-1 |
Wavelength(s) | 1.3 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 70.260, 78.790, 93.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.960 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.148 | 1.240 |
Number of reflections | 13330 | |
<I/σ(I)> | 4.9 | 1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 85.5 | 27.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 8 | 293 | 100 mM Tris-HCl, pH 8.0, 25 mM potassium formate, 25% (v/v) PEG400, and 0.3% (v/v) (+/-)-2-Methyl-2,4-pentanediol |