9BPW
Crystal Structure of Fumarate Hydratase FumC from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 243.865, 108.891, 109.023 |
| Unit cell angles | 90.00, 116.62, 90.00 |
Refinement procedure
| Resolution | 48.730 - 2.000 |
| R-factor | 0.1853 |
| Rwork | 0.184 |
| R-free | 0.21510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.705 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.134 | 2.182 |
| Rmeas | 0.145 | 2.355 |
| Rpim | 0.055 | 0.877 |
| Number of reflections | 165261 | 8220 |
| <I/σ(I)> | 16.1 | 0.99 |
| Completeness [%] | 96.2 | 96.5 |
| Redundancy | 7 | 7 |
| CC(1/2) | 0.995 | 0.545 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M lithium citrate, 20 % w/v PEG3350 |
