3DJE
Crystal structure of the deglycating enzyme fructosamine oxidase from Aspergillus fumigatus (Amadoriase II) in complex with FSA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.08100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.143, 53.436, 103.297 |
| Unit cell angles | 90.00, 113.33, 90.00 |
Refinement procedure
| Resolution | 28.580 - 1.600 |
| R-factor | 0.17115 |
| Rwork | 0.170 |
| R-free | 0.19726 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.247 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.360 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.104 | 0.240 |
| Number of reflections | 105596 | |
| <I/σ(I)> | 14.6 | 3.3 |
| Completeness [%] | 91.3 | 52 |
| Redundancy | 6.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 0.1 M Hepes pH 7.4, 10 % iso-propanol, 18 % PEG 4000, fructosyl thioacetate 3 mM, protein solution 15 mg/ml, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
