5N2S
Crystal structure of stabilized A1 receptor in complex with PSB36 at 3.3A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96863 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 70.273, 111.658, 160.543 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.891 - 3.303 |
| R-factor | 0.2571 |
| Rwork | 0.256 |
| R-free | 0.27840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5iu4 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.517 |
| Data reduction software | XDS (January, 2014) |
| Data scaling software | Aimless (0.5.9) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 160.600 | 3.570 |
| High resolution limit [Å] | 3.303 | 3.303 |
| Rmerge | 0.137 | 0.887 |
| Number of reflections | 9824 | 1930 |
| <I/σ(I)> | 7.9 | 1.6 |
| Completeness [%] | 97.8 | 98.6 |
| Redundancy | 5.1 | 5.2 |
| CC(1/2) | 0.997 | 0.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 7.5 | 293 | 0.1M SODIUM / POTASSIUM PHOSPHATE PH 7.5, 0.2M LITHIUM SULPHATE, 37.5% (W/V) PEG400 |
