3FWA
Structure of berberine bridge enzyme, C166A variant in complex with (S)-reticuline
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 | 68.870, 68.870, 246.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.892 - 1.496 |
R-factor | 0.162 |
Rwork | 0.162 |
R-free | 0.17700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d2j |
RMSD bond length | 0.013 |
RMSD bond angle | 1.065 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.900 | 1.590 |
High resolution limit [Å] | 1.496 | 1.500 |
Number of reflections | 95673 | |
<I/σ(I)> | 16.6 | 5.1 |
Completeness [%] | 97.4 | 91.5 |
Redundancy | 8.4 | 6.6 |
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 |