7JNI
Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.658, 68.090, 89.171 |
| Unit cell angles | 90.00, 104.65, 90.00 |
Refinement procedure
| Resolution | 32.720 - 3.000 |
| R-factor | 0.2361 |
| Rwork | 0.234 |
| R-free | 0.27260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 5UNH |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.551 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.720 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.190 | 1.180 |
| Number of reflections | 17858 | 844 |
| <I/σ(I)> | 7 | 1 |
| Completeness [%] | 97.8 | 95.4 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | Tris-HCl pH 8.0, Potassium Formate, PEG400, and 1,6-hexanediol |
