5MR5
Ligand-receptor complex.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-21 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.070, 120.300, 78.670 |
| Unit cell angles | 90.00, 98.46, 90.00 |
Refinement procedure
| Resolution | 30.280 - 2.000 |
| R-factor | 0.20609 |
| Rwork | 0.204 |
| R-free | 0.24335 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | polyalanine model of 2v5e |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.283 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.300 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.092 | 0.590 |
| Number of reflections | 60213 | |
| <I/σ(I)> | 8.6 | |
| Completeness [%] | 93.2 | |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 2.0 M ammonium sulfate and 0.1 M HEPES pH 7.5 |
