3CQN
Crystal Structure of the Lipocalin domain of Violaxanthin de-epoxidase (VDE) at pH7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.634, 52.458, 54.605 |
| Unit cell angles | 82.52, 75.99, 74.54 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.2 |
| Rwork | 0.196 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AtVDE at pH5 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.205 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.088 | 0.344 |
| Number of reflections | 23574 | |
| <I/σ(I)> | 6.2 | 1.6 |
| Completeness [%] | 96.9 | 97.1 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 298 | PEG3350, MgNO3, Benzamidine HCl, pH 7, vapor diffusion, temperature 298K |
