4XWZ
The crystal structure of Fructosyl amine: oxygen oxidoreductase (Amadoriase I) from Aspergillus fumigatus in complex with the substrate fructosyl lysine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-16 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.171, 83.197, 176.065 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.960 - 1.900 |
| R-factor | 0.15072 |
| Rwork | 0.149 |
| R-free | 0.18466 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wct |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.676 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.960 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.110 | 0.736 |
| Number of reflections | 80799 | |
| <I/σ(I)> | 12.8 | 2.6 |
| Completeness [%] | 99.3 | 93 |
| Redundancy | 12.8 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | Sodium citrate 0.1M, 10%Peg4K, 15% 2-Propanol |
