3H0O
The importance of CH-Pi stacking interactions between carbohydrate and aromatic residues in truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2009-01-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.65 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.400, 68.600, 70.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.870 - 1.400 |
R-factor | 0.179 |
Rwork | 0.179 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zm1 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.800 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.870 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 55766 | |
<I/σ(I)> | 30.3 | 3.4 |
Completeness [%] | 95.4 | 98.4 |
Redundancy | 5.8 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 8.5 | 295 | 24% PEG 5000 MME, 0.5M calcium acetate, 0.35M Tris-HCl, pH8.5, LIQUID DIFFUSION, temperature 295K |