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 |