7C1C
Crystal structure of FumaraseC from Mannheimia succiniciproducens
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 | 2018-11-20 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.618, 105.512, 125.487 |
| Unit cell angles | 90.00, 94.96, 90.00 |
Refinement procedure
| Resolution | 28.560 - 1.500 |
| R-factor | 0.1406 |
| Rwork | 0.139 |
| R-free | 0.16500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yfe |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.803 |
| 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 | 1.530 |
| High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
| Rmerge | 0.084 | 0.057 | 0.342 |
| Rmeas | 0.091 | 0.062 | 0.373 |
| Rpim | 0.036 | 0.025 | 0.147 |
| Total number of observations | 1457116 | ||
| Number of reflections | 240435 | 12867 | 11734 |
| <I/σ(I)> | 11.2 | ||
| Completeness [%] | 94.3 | 99.2 | 92.4 |
| Redundancy | 6.1 | 6.3 | 6 |
| CC(1/2) | 0.995 | 0.952 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 285 | 20% polyethylene glycol 3350, 0.2M Potassium fluoride |
