1LG1
CRYSTAL STRUCTURE OF HUMAN CHITOTRIOSIDASE IN COMPLEX WITH CHITOBIOSE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE 345 |
| Collection date | 1999-02-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 94.400, 94.400, 87.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 * - 2.780 |
| R-factor | 0.204 |
| Rwork | 0.204 |
| R-free | 0.26900 |
| Structure solution method | STANDARD |
| Starting model (for MR) | native chitotriosidase |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.880 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.106 | 0.455 |
| Total number of observations | 56839 * | |
| Number of reflections | 10485 | 916 * |
| <I/σ(I)> | 15 | 3.4 |
| Completeness [%] | 97.8 | 87.2 |
| Redundancy | 5.4 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8.7 * | pH 10.6 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 50 (mM) | pH8.7 |
| 2 | 1 | drop | protein | 7.7 (mg/ml) | |
| 3 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.5 |
| 4 | 1 | reservoir | PEG4000 | 30 (%) |
