5XFU
Domain swapped dimer crystal structure of loop1 deletion mutant in Single-chain Monellin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9786 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 108.743, 87.265, 87.375 |
Unit cell angles | 90.00, 127.85, 90.00 |
Refinement procedure
Resolution | 42.932 - 2.611 |
R-factor | 0.2613 |
Rwork | 0.260 |
R-free | 0.29410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iv7 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.964 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.932 | 2.705 |
High resolution limit [Å] | 2.611 | 2.611 |
Rmerge | 0.052 | 0.844 |
Rpim | 0.034 | 0.523 |
Number of reflections | 19281 | 1951 |
<I/σ(I)> | 13.84 | 1.58 |
Completeness [%] | 97.8 | 97.93 |
Redundancy | 3.4 | 3.6 |
CC(1/2) | 0.992 | 0.547 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 12% wt/vol PEG 8000, 50mM sodium phosphate pH 6.4 |