6FOX
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with kynurenine
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 | 2017-01-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.908, 52.542, 136.173 |
| Unit cell angles | 90.00, 104.14, 90.00 |
Refinement procedure
| Resolution | 44.020 - 1.900 |
| R-factor | 0.1712 |
| Rwork | 0.170 |
| R-free | 0.21460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Inhouse |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.677 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.020 | 1.967 |
| High resolution limit [Å] | 1.899 | 1.899 |
| Rmerge | 0.062 | 0.185 |
| Rpim | 0.035 | 0.103 |
| Number of reflections | 74533 | 7153 |
| <I/σ(I)> | 14.28 | 5.43 |
| Completeness [%] | 97.7 | 94.67 |
| Redundancy | 4.1 | 4 |
| CC(1/2) | 0.997 | 0.957 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.2 M sodium acetate trihydrate, 0.1 M sodium cacodylate pH6.5, 18 % w/v PEG 8000 |
