6U4O
Crystal structure of recombinant class II fumarase from Schistosoma mansoni
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-22 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9801 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 180.650, 67.860, 187.270 |
Unit cell angles | 90.00, 118.61, 90.00 |
Refinement procedure
Resolution | 46.930 - 1.850 |
R-factor | 0.1936 |
Rwork | 0.192 |
R-free | 0.22710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d6b |
RMSD bond length | 0.005 |
RMSD bond angle | 1.349 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.930 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 167349 | 11054 |
<I/σ(I)> | 11.2 | |
Completeness [%] | 98.6 | |
Redundancy | 6.8 | |
CC(1/2) | 0.997 | 0.552 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 294 | Sodium acetate pH 4, sodium L-malate, PEG 3350 |