6SBI
X-ray structure of murine Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) in complex with inhibitor oxalate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-20 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.603, 103.348, 86.597 |
| Unit cell angles | 90.00, 90.21, 90.00 |
Refinement procedure
| Resolution | 44.370 - 2.700 |
| R-factor | 0.1893 |
| Rwork | 0.187 |
| R-free | 0.23440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6foh |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.499 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.380 | 2.970 |
| High resolution limit [Å] | 2.700 | 2.710 |
| Rmerge | 0.171 | 0.543 |
| Rmeas | 0.203 | 0.648 |
| Rpim | 0.108 | 0.351 |
| Number of reflections | 15791 | 790 |
| <I/σ(I)> | 4.2 | 1.4 |
| Completeness [%] | 91.2 | 51.4 |
| Redundancy | 3.43 | 3.32 |
| CC(1/2) | 0.985 | 0.757 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 20% PEG 4000, 0.05M MgCl2, 0.1M MES pH5.5 |
