3AIW
Crystal structure of beta-glucosidase in rye complexed with 2-deoxy-2-fluoroglucoside and dinitrophenol
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 | 194.686, 194.686, 194.686 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.400 |
| R-factor | 0.18728 |
| Rwork | 0.186 |
| R-free | 0.21172 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dga |
| RMSD bond length | 0.036 |
| RMSD bond angle | 2.055 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.700 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.104 | 0.464 |
| Number of reflections | 49758 | |
| <I/σ(I)> | 6.7 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21.6 | 21.8 |
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 |
