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 |
