3GSY
Structure of berberine bridge enzyme in complex with dehydroscoulerine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-18 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9794 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 68.940, 68.940, 247.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.350 - 1.630 |
R-factor | 0.163 |
Rwork | 0.162 |
R-free | 0.18500 |
Starting model (for MR) | 3d2j |
RMSD bond length | 0.012 |
RMSD bond angle | 1.095 |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.720 |
High resolution limit [Å] | 1.630 | 1.630 |
Number of reflections | 76019 | |
<I/σ(I)> | 18.4 | 3.4 |
Completeness [%] | 99.7 | 98.2 |
Redundancy | 13 | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2 M MgCl2, 30% PEG-4000, 0.1 M Tris/HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |