7VWW
X-ray structure of a domain-swapped poly-glutamine Monellin mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97620 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.309, 68.149, 84.870 |
| Unit cell angles | 90.00, 92.66, 90.00 |
Refinement procedure
| Resolution | 45.370 - 2.700 |
| R-factor | 0.2657 |
| Rwork | 0.263 |
| R-free | 0.32410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7eua |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.357 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.18_3845: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 53.120 | 53.120 | 2.830 |
| High resolution limit [Å] | 2.700 | 8.960 | 2.700 |
| Rmerge | 0.067 | 0.020 | 0.397 |
| Rmeas | 0.095 | 0.029 | 0.561 |
| Rpim | 0.067 | 0.020 | 0.397 |
| Total number of observations | 50642 | 1378 | 6843 |
| Number of reflections | 26343 | 762 | 3506 |
| <I/σ(I)> | 7.7 | 17.8 | 1.6 |
| Completeness [%] | 99.9 | 99.3 | 100 |
| Redundancy | 1.9 | 1.8 | 2 |
| CC(1/2) | 0.979 | 0.999 | 0.682 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M Carboxylic acid, 0.1M Buffer system-2 pH7.5, 50% of precipitation mix-1 condition of Morpheus complete HT-96 |
