9SFS
Human PPAR alpha ligand binding domain in complex with 10-HSA ligand
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-07-25 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.558, 61.249, 53.081 |
| Unit cell angles | 90.00, 106.86, 90.00 |
Refinement procedure
| Resolution | 50.800 - 2.000 |
| R-factor | 0.2326 |
| Rwork | 0.230 |
| R-free | 0.28488 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.795 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.250 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.100 | 0.421 |
| Number of reflections | 18508 | 1364 |
| <I/σ(I)> | 4.7 | 1.6 |
| Completeness [%] | 99.5 | 99.6 |
| Redundancy | 5.2 | 5.1 |
| CC(1/2) | 0.940 | 0.630 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M Bis-Tris (pH 6.5), 28% (w/v) Polyethylene glycol monomethyl ether 2,000 |
