9HJW
Crystal structure of flavin-dependent monooxygenase Tet(X4) in complex with tegaserod
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 | 2024-04-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 97.286, 97.286, 167.673 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 59.430 - 1.900 |
| R-factor | 0.1786 |
| Rwork | 0.177 |
| R-free | 0.20890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.945 |
| Data reduction software | DIALS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.430 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.154 | |
| Number of reflections | 37807 | 2389 |
| <I/σ(I)> | 16.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 39.2 | |
| CC(1/2) | 0.999 | 0.852 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M Ammonium acetate 0.1 M Sodium citrate tribasic dihydrate pH 5.6 30 % Polyethylene glycol 4,000 |
