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 (%) |