7C18
Crystal structure of FumaraseC from Mannheimia succiniciproducens in complex with Fumarate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-06-18 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.089, 104.276, 125.333 |
| Unit cell angles | 90.00, 94.10, 90.00 |
Refinement procedure
| Resolution | 32.570 - 2.120 |
| R-factor | 0.1874 |
| Rwork | 0.185 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yfe |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.698 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
| Rmerge | 0.122 | 0.082 | 0.273 |
| Rmeas | 0.134 | 0.089 | 0.313 |
| Rpim | 0.055 | 0.034 | 0.150 |
| Total number of observations | 403604 | ||
| Number of reflections | 83884 | 4371 | 4092 |
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 97.9 | 99.3 | 96.3 |
| Redundancy | 4.8 | 6.5 | 3.8 |
| CC(1/2) | 0.992 | 0.846 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 20% polyethylene glycol 3350, 0.2M Potassium fluoride |
