5O7R
Crystal structure of a single chain monellin mutant (Y65R) pH 6.5
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) | 1.06520 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 45.770, 35.771, 59.126 |
| Unit cell angles | 90.00, 92.98, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.060 |
| R-factor | 0.20332 |
| Rwork | 0.201 |
| R-free | 0.25550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o9u |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.888 |
| Data reduction software | XDS |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.107 | 0.707 |
| Number of reflections | 11978 | 1925 |
| <I/σ(I)> | 9.15 | 1.99 |
| Completeness [%] | 98.9 | 99.3 |
| Redundancy | 3.7 | 3.9 |
| CC(1/2) | 0.753 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG3350, 0.1 M Bis/Tris pH 6.5, 0.2 M (NH4)2SO4 |
