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 |