1UY1
Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU R-AXIS IV++ |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 83.438, 83.438, 44.776 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.14 |
Rwork | 0.138 |
R-free | 0.17800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gmm |
RMSD bond length | 0.018 |
RMSD bond angle | 1.622 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.068 | 0.336 |
Number of reflections | 15153 | |
<I/σ(I)> | 16.3 | 5.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 8.2 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.5 | pH 4.50 |