5NAB
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97626 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.510, 53.010, 136.380 |
| Unit cell angles | 90.00, 103.96, 90.00 |
Refinement procedure
| Resolution | 49.210 - 1.630 |
| R-factor | 0.1672 |
| Rwork | 0.166 |
| R-free | 0.18600 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.057 | 0.603 |
| Number of reflections | 116150 | 1076 |
| <I/σ(I)> | 13.7 | 1.9 |
| Completeness [%] | 95.9 | 89.1 |
| Redundancy | 3.3 | 3 |
| CC(1/2) | 0.998 | 0.725 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 20% glycerol, 14.4% PEG 8000, 0.08 M sodium cacodylate pH 6.5, 0.16 M calcium acetate or 20% glycerol, 16% PEG 8000, 0.08M sodium cacodylate pH 6.5, 0.16M magnesium acetate |
