9M23
FIH [Factor Inhibiting HIF (Hypoxia Inducible Factor)] in complex with Zn(II) and N-((4-(trifluoromethyl)phenyl)sulfonyl)picolinamide (SB133)
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 | 2022-12-02 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97626 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 86.661, 86.661, 146.907 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.330 - 2.160 |
| R-factor | 0.1995 |
| Rwork | 0.198 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.572 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.640 | 2.200 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmerge | 0.125 | 5.097 |
| Rmeas | 0.128 | 5.206 |
| Rpim | 0.025 | 1.054 |
| Number of reflections | 54752 | 1430 |
| <I/σ(I)> | 12.3 | 0.3 |
| Completeness [%] | 100.0 | 96 |
| Redundancy | 26.6 | 24.2 |
| CC(1/2) | 0.999 | 0.334 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 1.6M AMMONIUM SULPHATE, 6% PEG 400, 0.1M HEPES PH 7.5 |
