2YA2
Catalytic Module of the Multi-modular glycogen-degrading pneumococcal virulence factor SpuA in complex with an inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU R-AXIS IV |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.779, 75.803, 88.089 |
| Unit cell angles | 90.00, 97.72, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.370 |
| R-factor | 0.21097 |
| Rwork | 0.208 |
| R-free | 0.25951 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.440 |
| Data reduction software | CrystalClear |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.480 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Rmerge | 0.080 | 0.250 |
| Number of reflections | 25638 | |
| <I/σ(I)> | 5.8 | 2.6 |
| Completeness [%] | 90.0 | 91.1 |
| Redundancy | 2.2 | 2.14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
