2VVZ
Structure of the catalytic domain of Streptococcus pneumoniae sialidase NanA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.206, 95.626, 226.596 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.246 |
| Rwork | 0.243 |
| R-free | 0.29800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bf6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.145 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.060 | 0.250 |
| Number of reflections | 36773 | |
| <I/σ(I)> | 27 | 4.6 |
| Completeness [%] | 95.0 | 71 |
| Redundancy | 2.9 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.4 | 30% PEG 4000, 0.1M MES PH 6.4 |
