2NNL
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 | 2005-11-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.04 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.825, 90.143, 93.297 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.820 - 2.100 |
| R-factor | 0.192 |
| Rwork | 0.190 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c29 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.271 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.827 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.136 | |
| Total number of observations | 29478 | |
| Number of reflections | 37210 | |
| <I/σ(I)> | 3.7 | 1.9 |
| Completeness [%] | 85.9 | 89.1 |
| Redundancy | 5.4 | 5.3 |
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 |
