3VIM
Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with a new glucopyranosidic product
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.80000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.124, 68.557, 75.455 |
Unit cell angles | 90.00, 95.72, 90.00 |
Refinement procedure
Resolution | 19.200 - 1.030 |
R-factor | 0.12832 |
Rwork | 0.128 |
R-free | 0.14299 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ahz |
RMSD bond length | 0.006 |
RMSD bond angle | 1.382 |
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 | 1.070 |
High resolution limit [Å] | 1.030 | 1.030 |
Rmerge | 0.045 | 0.536 |
Number of reflections | 223573 | |
<I/σ(I)> | 31 | 2.5 |
Completeness [%] | 96.4 | 94.5 |
Redundancy | 4.8 | 4.6 |
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 |