3SLI
LEECH INTRAMOLECULAR TRANS-SIALIDASE COMPLEXED WITH 2,7-ANHYDRO-NEU5AC PREPARED BY SOAKING WITH 3'-SIALYLLACTOSE
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1997-06-24 |
Detector | MACSCIENCE |
Spacegroup name | P 1 |
Unit cell lengths | 46.196, 69.290, 72.323 |
Unit cell angles | 112.78, 95.62, 107.14 |
Refinement procedure
Resolution | 15.000 - 1.800 |
R-factor | 0.187 |
Rwork | 0.187 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NATIVE STRUCTURE |
RMSD bond length | 0.008 |
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 | 0.051 * | 0.205 * |
Total number of observations | 123968 * | |
Number of reflections | 65343 | |
<I/σ(I)> | 10.7 | 3 |
Completeness [%] | 91.9 | 81.6 |
Redundancy | 1.8 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.2 | 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) |