6FP0
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 4
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 | 2016-01-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.592, 46.577, 133.996 |
| Unit cell angles | 90.00, 104.76, 90.00 |
Refinement procedure
| Resolution | 72.130 - 2.030 |
| R-factor | 0.1765 |
| Rwork | 0.175 |
| R-free | 0.21050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Inhouse |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.744 |
| 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] | 72.130 | 2.102 |
| High resolution limit [Å] | 2.029 | 2.029 |
| Rmerge | 0.064 | 0.566 |
| Rpim | 0.040 | 0.356 |
| Number of reflections | 57629 | 5601 |
| <I/σ(I)> | 12.48 | |
| Completeness [%] | 98.3 | 97.95 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.998 | 0.703 |
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 |
