5O7L
Crystal structure of a single chain monellin mutant (Y65R) pH 4.6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-05 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54187 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 129.150, 30.834, 45.368 |
| Unit cell angles | 90.00, 105.79, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.600 |
| R-factor | 0.22524 |
| Rwork | 0.223 |
| R-free | 0.26992 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o9u |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.067 |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.760 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.768 | |
| Number of reflections | 5469 | 859 |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 4.3 | 4.3 |
| CC(1/2) | 0.716 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 27% PEG4000, 0.1 M CH3COONa pH 4.6, 0.2 M (NH4)2SO4 |
