4XIK
Crystal structure of NanB sialidase from streptococcus pneumoniae in complex with DMSO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-15 |
| Detector | RIGAKU |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.182, 82.656, 116.995 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.394 - 1.910 |
| R-factor | 0.1719 |
| Rwork | 0.170 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vw0 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.101 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.940 |
| High resolution limit [Å] | 1.910 | 5.180 | 1.910 |
| Rmerge | 0.063 | 0.037 | 0.273 |
| Total number of observations | 270195 | ||
| Number of reflections | 57785 | ||
| <I/σ(I)> | 16.8 | ||
| Completeness [%] | 99.7 | 95.1 | 99.9 |
| Redundancy | 4.7 | 4.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 7% PEG 8000, 0.1M IMIDAZOLE |
