4IDF
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADPH and HMF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-28 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 70.263, 70.263, 175.095 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.590 - 1.550 |
| R-factor | 0.1418 |
| Rwork | 0.141 |
| R-free | 0.16280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4idc |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.955 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.650 |
| High resolution limit [Å] | 1.550 | 10.000 | 1.550 |
| Rmerge | 0.062 | 0.013 | 0.668 |
| Rmeas | 0.014 | 0.704 | |
| Number of reflections | 64541 | 291 | 10822 |
| <I/σ(I)> | 26.96 | 85.91 | 3.84 |
| Completeness [%] | 100.0 | 94.5 | 100 |
| Redundancy | 9.68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 19% (w/v) PEG3350, 0.2M Li2SO4, 0.1M Tris/HCl pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
