9XS3
Factor inhibiting HIF-1 alpha in complex with Mn(II) and wogonin
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-03-10 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.00500 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 86.687, 86.687, 148.502 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.270 - 2.600 |
| R-factor | 0.1928 |
| Rwork | 0.189 |
| R-free | 0.22840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.572 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.500 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.085 | 0.862 |
| Number of reflections | 33099 | 2172 |
| <I/σ(I)> | 15.4 | 2.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.7 | 7.1 |
| CC(1/2) | 0.998 | 0.707 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.1 M HEPES-NaOH (pH 7.0), 2% (w/v) PEG 400, 1.6 M ammonium sulfate |
