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 |