6FPH
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1h
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-17 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.351, 53.253, 135.844 |
| Unit cell angles | 90.00, 103.81, 90.00 |
Refinement procedure
| Resolution | 29.350 - 2.000 |
| R-factor | 0.1928 |
| Rwork | 0.192 |
| R-free | 0.21840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Inhouse |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.552 |
| 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] | 49.390 | 2.071 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.056 | 0.508 |
| Rpim | 0.036 | 0.321 |
| Number of reflections | 66361 | |
| <I/σ(I)> | 13.72 | 2.3 |
| Completeness [%] | 99.7 | 99.92 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.999 | 0.833 |
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 |
