3FW9
Structure of berberine bridge enzyme in complex with (S)-scoulerine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9794 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 68.720, 68.720, 247.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.900 - 1.489 |
R-factor | 0.173 |
Rwork | 0.172 |
R-free | 0.19500 |
Starting model (for MR) | 3d2j |
RMSD bond length | 0.024 |
RMSD bond angle | 1.029 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.900 | 1.580 |
High resolution limit [Å] | 1.489 | 1.490 |
Number of reflections | 95974 | |
<I/σ(I)> | 10.9 | 2.4 |
Completeness [%] | 97.6 | 86.2 |
Redundancy | 9.2 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 298 | 0.2 M MAGNESIUMCHLORIDE, 30% PEG-4000, 0.1 M TRIS/HCL, pH 8.5, vapor diffusion, temperature 298K |