9I4H
Factor Inhibiting HIF (FIH) in complex with manganese and 3-Hydroxy-5-(3-(4-(hydroxymethyl)-3-nitrophenyl)isoxazol-5-yl)picolinoyl)glycine
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 | 2024-03-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97627 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 86.028, 86.028, 147.495 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.830 - 2.300 |
| R-factor | 0.2041 |
| Rwork | 0.203 |
| R-free | 0.21770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.695 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.840 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.116 | 2.084 |
| Rmeas | 0.118 | 2.125 |
| Rpim | 0.023 | 0.413 |
| Number of reflections | 25421 | 2433 |
| <I/σ(I)> | 18 | 1.5 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 26.3 | 25.8 |
| CC(1/2) | 0.999 | 0.784 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | Morpheus C5 0.09 M NPS 0.1 M Buffer System 2 7.5 30 % v/v Precipitant Mix 2 |
