6YTZ
Crystal structure of Malus domestica Double Bond Reductase (MdDBR) in complex with NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-04 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 68.545, 68.645, 145.398 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.440 - 1.400 |
R-factor | 0.1237 |
Rwork | 0.121 |
R-free | 0.16610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ysb |
RMSD bond length | 0.016 |
RMSD bond angle | 1.919 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.500 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 67744 | 3301 |
<I/σ(I)> | 15.9 | |
Completeness [%] | 100.0 | |
Redundancy | 12.47 | |
CC(1/2) | 1.000 | 0.517 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 12.5% PEG 1000, 12.5% PEG 3350, 12.5% MPD, 0.03 M magnesium chloride, 0.03 M calcium chloride, 0.03 M sodium chloride, 0.03 M sodium bromide, 0.03 M sodium iodide in 0.1 M MES/imidazole pH 6.5. |