3VII
Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with Bis-Tris
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 | 2009-01-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.80000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.020, 68.472, 74.774 |
Unit cell angles | 90.00, 95.32, 90.00 |
Refinement procedure
Resolution | 27.200 - 0.970 |
R-factor | 0.12779 |
Rwork | 0.127 |
R-free | 0.14501 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ahz |
RMSD bond length | 0.007 |
RMSD bond angle | 1.406 |
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 | 1.000 |
High resolution limit [Å] | 0.970 | 0.970 |
Rmerge | 0.052 | 0.598 |
Number of reflections | 271148 | |
<I/σ(I)> | 29.6 | 2.1 |
Completeness [%] | 98.8 | 99.6 |
Redundancy | 4.7 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1 M Bis-Tris, 18-21%(w/v) PEG 3350, 0.1-0.25 M MgCl2, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |