2IOD
Binding of two substrate analogue molecules to dihydroflavonol-4-reductase alters the functional geometry of the catalytic site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0400 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.231, 177.958, 92.597 |
| Unit cell angles | 90.00, 104.77, 90.00 |
Refinement procedure
| Resolution | 89.440 - 2.060 |
| R-factor | 0.193 |
| Rwork | 0.189 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c29 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.925 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.535 | 2.170 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.093 | 0.505 |
| Total number of observations | 30567 | |
| Number of reflections | 89953 | |
| <I/σ(I)> | 4 | 2.1 |
| Completeness [%] | 99.0 | 94.1 |
| Redundancy | 3.2 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 298 | 50mM NaCl, 29% PEG3350, 100mM Hepes, 3mM NaN3, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
