3D2H
Structure of berberine bridge enzyme from Eschscholzia californica, monoclinic crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-20 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8148 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.913, 94.842, 63.977 |
Unit cell angles | 90.00, 100.31, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.650 |
R-factor | 0.1548 |
Rwork | 0.155 |
R-free | 0.18640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.290 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 69824 | |
<I/σ(I)> | 26.5 | 4.6 |
Completeness [%] | 98.7 | 95.9 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2 M MAGNESIUMCHLORIDE, 30% PEG-4000, 0.1 M TRIS/HCL, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |