3AIR
Crystal structure of beta-glucosidase in wheat 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 | 194.448, 194.448, 194.448 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.690 - 2.000 |
R-factor | 0.18051 |
Rwork | 0.180 |
R-free | 0.19849 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dga |
RMSD bond length | 0.016 |
RMSD bond angle | 1.462 |
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 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.083 | 0.576 |
Number of reflections | 84668 | |
<I/σ(I)> | 37.6 | 5.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.7 | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 10mM HEPES, 1M LiSO4, 150mM NaCl, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |