4C1W
Carbohydrate binding domain from Streptococcus pneumoniae NanA sialidase complexed with 3'-sialyllactose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | RIGAKU CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.567, 44.517, 42.982 |
| Unit cell angles | 90.00, 97.00, 90.00 |
Refinement procedure
| Resolution | 44.520 - 1.840 |
| R-factor | 0.14539 |
| Rwork | 0.143 |
| R-free | 0.19784 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.039 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.500 | 1.900 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.080 | 0.100 |
| Number of reflections | 12277 | |
| <I/σ(I)> | 38.7 | 16.8 |
| Completeness [%] | 92.0 | 75.6 |
| Redundancy | 2.4 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | pH 9 |
