9B2Y
Kynurenine monooxygenase from Pseudomonas fluorescens complexed with 4-chlorophenylacetyltetrazole
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.410, 51.660, 134.980 |
| Unit cell angles | 90.00, 103.86, 90.00 |
Refinement procedure
| Resolution | 43.680 - 2.050 |
| R-factor | 0.2069 |
| Rwork | 0.205 |
| R-free | 0.24590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond angle | 11.755 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.680 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 104865 | 7765 |
| <I/σ(I)> | 6.09 | |
| Completeness [%] | 93.7 | |
| Redundancy | 2.3 | |
| CC(1/2) | 0.998 | 0.176 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12%-14% PEG8k, 0.11M - 0.13M calcium acetate, 14% glycerol, 0.08M sodium cacodylate pH6 |
