5O7K
Crystal structure of a single chain monellin mutant (Y65R) pH 2.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-12 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54187 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 128.912, 31.501, 45.743 |
| Unit cell angles | 90.00, 106.24, 90.00 |
Refinement procedure
| Resolution | 61.880 - 2.050 |
| R-factor | 0.19637 |
| Rwork | 0.193 |
| R-free | 0.25241 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o9u |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.958 |
| Data reduction software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.180 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.131 | 0.674 |
| Number of reflections | 11277 | 1769 |
| <I/σ(I)> | 9.55 | |
| Completeness [%] | 99.3 | 98 |
| Redundancy | 4.1 | |
| CC(1/2) | 0.847 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 2 | 293 | 33% PEG4000, 0.2 M (NH4)2SO4 |
