9XS7
Factor inhibiting HIF-1 alpha in complex with Mn(II) and rhein
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 | 2025-03-02 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.00500 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 86.670, 86.670, 146.345 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.510 - 2.510 |
| R-factor | 0.1932 |
| Rwork | 0.189 |
| R-free | 0.23130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.597 |
| 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] | 48.780 | 2.610 |
| High resolution limit [Å] | 2.510 | 2.510 |
| Rmerge | 0.080 | 0.918 |
| Number of reflections | 18719 | 2127 |
| <I/σ(I)> | 19.2 | 2.3 |
| Completeness [%] | 95.0 | 96.7 |
| Redundancy | 7.1 | 7.3 |
| CC(1/2) | 0.999 | 0.686 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 20% (w/v) PEG 3,350, 0.2 M sodium malonate pH 7.0 |
