3FW7
Structure of berberine bridge enzyme, H104A variant
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 | 68.800, 68.800, 247.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.700 - 1.825 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d2j |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.013 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.700 | 1.940 |
| High resolution limit [Å] | 1.825 | 1.830 |
| Number of reflections | 53899 | |
| <I/σ(I)> | 14.4 | 3 |
| Completeness [%] | 99.7 | 98.2 |
| Redundancy | 14 | 13.8 |
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 |
