9SW1
Human fumarylacetoacetate hydrolase (FAH) in complex with A4
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979260 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.377, 104.117, 75.077 |
| Unit cell angles | 90.00, 96.74, 90.00 |
Refinement procedure
| Resolution | 60.620 - 1.990 |
| R-factor | 0.1762 |
| Rwork | 0.174 |
| R-free | 0.21790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.673 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.620 | 2.220 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 45149 | 2257 |
| <I/σ(I)> | 10.6 | 1.6 |
| Completeness [%] | 92.8 | 61.4 |
| Redundancy | 6.7 | |
| CC(1/2) | 0.997 | 0.507 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 0.1 M Bis-Tris pH 5.5 and 7.0 at 25% to PEG 3350. |
