1LG2
CRYSTAL STRUCTURE OF HUMAN CHITOTRIOSIDASE IN COMPLEX WITH ETHYLENE GLYCOL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-07-01 |
| Detector | MAC Science DIP-2030 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.173, 47.285, 84.726 |
| Unit cell angles | 90.00, 102.58, 90.00 |
Refinement procedure
| Resolution | 13.400 * - 2.100 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.22700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HUMAN CHITOTRIOSIADSE TETRAGONAL CRYSTAL FORM |
| RMSD bond length | 0.005 |
| RMSD bond angle | 23.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.400 * | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.072 | 0.225 |
| Total number of observations | 73055 * | |
| Number of reflections | 20533 * | 1330 * |
| <I/σ(I)> | 18.9 | 5.9 |
| Completeness [%] | 99.6 | 97 |
| Redundancy | 3.6 * | 3.2 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8.7 * | pH 5.6 |
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 (%) |
