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 |