4XJ8
Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 5.0 in 50mM sodium Acetate 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 | 75.994, 82.771, 117.014 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.301 - 2.749 |
| R-factor | 0.1874 |
| Rwork | 0.183 |
| R-free | 0.26460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vw0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.128 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.1.4) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 7.030 | 2.600 |
| Rmerge | 0.099 | 0.046 | 0.276 |
| Total number of observations | 77288 | ||
| Number of reflections | 20648 | ||
| <I/σ(I)> | 13.4 | ||
| Completeness [%] | 87.5 | 81.1 | 94.4 |
| Redundancy | 3.7 | 3.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 7% PEG 8000, 0.1M IMIDAZOLE |
