3AIV
Crystal structure of beta-glucosidase in rye complexed with an aglycone DIMBOA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2006-10-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97800 |
| Spacegroup name | P 41 3 2 |
| Unit cell lengths | 194.187, 194.187, 194.187 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.100 - 2.500 |
| R-factor | 0.19084 |
| Rwork | 0.190 |
| R-free | 0.20856 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dga |
| RMSD bond length | 0.034 |
| RMSD bond angle | 1.861 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.135 | 0.809 |
| Number of reflections | 43816 | |
| <I/σ(I)> | 30 | 5.1 |
| Completeness [%] | 99.9 | |
| Redundancy | 19.3 | 16.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 20mM HEPES, 1M LiSO4, 150mM NaCl, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
