3VIG
Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with 1-deoxynojirimycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.80000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.108, 68.559, 75.144 |
Unit cell angles | 90.00, 95.54, 90.00 |
Refinement procedure
Resolution | 28.300 - 0.990 |
R-factor | 0.13097 |
Rwork | 0.130 |
R-free | 0.14648 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ahz |
RMSD bond length | 0.007 |
RMSD bond angle | 1.407 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.030 |
High resolution limit [Å] | 0.990 | 0.990 |
Rmerge | 0.063 | 0.908 |
Number of reflections | 259744 | |
<I/σ(I)> | 31.7 | 2 |
Completeness [%] | 99.7 | 99.5 |
Redundancy | 5.4 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1M Bis-Tris, 18-21%(w/v) PEG 3350, 0.1-0.25M MgCl2, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |