6FOY
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 9
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 | 2015-10-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.800, 52.977, 135.765 |
| Unit cell angles | 90.00, 103.83, 90.00 |
Refinement procedure
| Resolution | 67.780 - 1.650 |
| R-factor | 0.1646 |
| Rwork | 0.164 |
| R-free | 0.21350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Inhouse |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.984 |
| 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] | 67.780 | 1.709 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.057 | 0.619 |
| Rpim | 0.038 | 0.509 |
| Number of reflections | 115076 | 10780 |
| <I/σ(I)> | 10.99 | 1.49 |
| Completeness [%] | 98.2 | 89.92 |
| Redundancy | 3 | 2.1 |
| CC(1/2) | 0.998 | 0.526 |
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 |
