4IDE
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADP+ and EDHMF
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-28 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 69.962, 69.962, 174.511 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.600 |
R-factor | 0.1522 |
Rwork | 0.151 |
R-free | 0.17970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4idc |
RMSD bond length | 0.019 |
RMSD bond angle | 2.071 |
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 | 1.700 |
High resolution limit [Å] | 1.600 | 10.000 | 1.600 |
Rmerge | 0.064 | 0.021 | 0.805 |
Rmeas | 0.024 | 0.859 | |
Number of reflections | 58034 | 285 | 9480 |
<I/σ(I)> | 23.43 | 67.52 | 3.37 |
Completeness [%] | 99.9 | 94.4 | 100 |
Redundancy | 8.05 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 21-16% (w/v) PEG3350, 0.2M Li2SO4, 0.1M Tris/HCl pH 7.0-8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |