5O7Q
Crystal structure of a single chain monellin mutant (Y65R) pH 5.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.065200 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 35.339, 84.545, 130.517 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.720 |
| R-factor | 0.22059 |
| Rwork | 0.218 |
| R-free | 0.27064 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o9u |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.141 |
| Data reduction software | XDS |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.828 | |
| Number of reflections | 21238 | 3364 |
| <I/σ(I)> | 9.87 | |
| Completeness [%] | 99.7 | 99.5 |
| Redundancy | 5.6 | 5.6 |
| CC(1/2) | 0.886 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 25% PEG3350, 0.1 M Bis/Tris pH 5.5, 0.2 M (NH4)2SO4 |
