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 |
