5NAK
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with the enzyme substrate L-kynurenine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9282 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.930, 52.620, 137.990 |
| Unit cell angles | 90.00, 104.07, 90.00 |
Refinement procedure
| Resolution | 67.480 - 1.500 |
| R-factor | 0.1896 |
| Rwork | 0.189 |
| R-free | 0.21040 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.000 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.062 | 0.614 |
| Number of reflections | 155570 | 22560 |
| <I/σ(I)> | 8.1 | 1.7 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 3.1 | 3 |
| CC(1/2) | 0.998 | 0.495 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 20% glycerol, 11.0% PEG 8000, 0.08 M sodium cacodylate pH 7.0, 0.16 M calcium acetate |
