9MYK
A domain-swapped structure of QEVKG mutant of Monellin
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 | I 1 2 1 |
| Unit cell lengths | 87.480, 87.261, 88.874 |
| Unit cell angles | 90.00, 103.41, 90.00 |
Refinement procedure
| Resolution | 60.920 - 2.870 |
| R-factor | 0.248 |
| Rwork | 0.245 |
| R-free | 0.31520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.259 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.920 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.086 | 1.009 |
| Rmeas | 0.109 | 1.271 |
| Rpim | 0.067 | 0.762 |
| Total number of observations | 38731 | 5789 |
| Number of reflections | 15261 | 2301 |
| <I/σ(I)> | 6.4 | 0.9 |
| Completeness [%] | 94.9 | |
| Redundancy | 2.5 | 2.5 |
| CC(1/2) | 0.908 | 0.352 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 25% PEG 3550, 100mM HEPES 7.0, 0.1M LiSo4 |
