4ZXK
Carbohydrate binding domain from Streptococcus pneumoniae NanA sialidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-28 |
| Detector | RIGAKU |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.234, 66.984, 66.792 |
| Unit cell angles | 90.00, 92.43, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.840 |
| R-factor | 0.1647 |
| Rwork | 0.162 |
| R-free | 0.20820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2sli |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.988 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK (HKL2000) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.870 |
| High resolution limit [Å] | 1.840 | 4.990 | 1.840 |
| Rmerge | 0.031 | 0.023 | 0.069 |
| Total number of observations | 72568 | ||
| Number of reflections | 29236 | ||
| <I/σ(I)> | 49.1 | ||
| Completeness [%] | 96.8 | 95.1 | 73.9 |
| Redundancy | 2.5 | 2.6 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293.15 | DL-malic acid, MES, tris base, PEG 1500 valine |
