3D2D
Structure of berberine bridge enzyme in complex with (S)-reticuline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8010 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 98.938, 93.649, 63.155 |
| Unit cell angles | 90.00, 100.62, 90.00 |
Refinement procedure
| Resolution | 26.238 - 2.796 |
| R-factor | 0.1905 |
| Rwork | 0.188 |
| R-free | 0.24060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.749 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.300 | 2.850 |
| High resolution limit [Å] | 2.796 | 2.796 |
| Number of reflections | 12513 | |
| <I/σ(I)> | 7.8 | 2.2 |
| Completeness [%] | 88.9 | 91.3 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2 M MAGNESIUMCHLORIDE, 30% PEG-4000, 0.1 M TRIS/HCL, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
