5O7S
Crystal structure of a single chain monellin mutant (Y65R) pH 8.3
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 | P 1 |
| Unit cell lengths | 35.250, 37.430, 45.740 |
| Unit cell angles | 93.67, 112.64, 115.12 |
Refinement procedure
| Resolution | 30.000 - 2.020 |
| R-factor | 0.24082 |
| Rwork | 0.238 |
| R-free | 0.28680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o9u |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.872 |
| Data reduction software | XDS |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.238 | 0.637 |
| Number of reflections | 12323 | 934 |
| <I/σ(I)> | 8.27 | 2.33 |
| Completeness [%] | 99.3 | 98.1 |
| Redundancy | 5.5 | 4.3 |
| CC(1/2) | 0.733 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 293 | 30% PEG4000, 0.1 M Tris/HCl pH 8.3, 0.05 M (NH4)2SO4 |
