2SLI
LEECH INTRAMOLECULAR TRANS-SIALIDASE COMPLEXED WITH 2,7-ANHYDRO-NEU5AC, THE REACTION PRODUCT
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-05-24 |
| Detector | MACSCIENCE |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.364, 69.275, 72.469 |
| Unit cell angles | 113.48, 95.41, 107.31 |
Refinement procedure
| Resolution | 15.000 - 1.800 |
| R-factor | 0.185 |
| Rwork | 0.185 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NATIVE STRUCTURE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 26.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.85) |
| Refinement software | X-PLOR (3.85) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.049 * | 0.173 * |
| Total number of observations | 122932 * | |
| Number of reflections | 63696 | |
| <I/σ(I)> | 12.5 | 6.1 |
| Completeness [%] | 90.1 | 67.6 |
| Redundancy | 2 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.9 | 277 * | Luo, Y., (1998) Acta Cryst., D54, 111. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | reservoir | PEG6000 | 20 (%) | |
| 3 | 1 | reservoir | cacodylate | 0.1 (M) | |
| 4 | 1 | reservoir | 0.25 (M) |
