1UY4
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 | 83.437, 83.437, 44.921 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.690 |
| R-factor | 0.134 |
| Rwork | 0.132 |
| R-free | 0.17700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gmm |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.679 |
| 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 | 1.750 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.045 | 0.345 |
| Number of reflections | 17203 | |
| <I/σ(I)> | 22.3 | 5 |
| Completeness [%] | 99.1 | 100 |
| Redundancy | 8.6 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | pH 4.50 |
