2ZOX
Crystal Structure of the Covalent Intermediate of Human Cytosolic beta-Glucosidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.120, 82.529, 91.673 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.670 - 1.900 |
R-factor | 0.19233 |
Rwork | 0.191 |
R-free | 0.22578 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2e9l |
RMSD bond length | 0.009 |
RMSD bond angle | 1.146 |
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 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.092 | 0.428 |
Number of reflections | 39194 | |
<I/σ(I)> | 19.4 | 1.8 |
Completeness [%] | 98.3 | 86.9 |
Redundancy | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 30% PEG 3350, 0.2M MgCl2, 0.1M Tris-HCl, 15% glycerol saturated concentration of pNP-Glc , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |