1IQB
Crystal Structure of Urtica dioica Agglutinin Isolectin I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR571 |
Temperature [K] | 286 |
Detector technology | AREA DETECTOR |
Collection date | 1998-02-01 |
Detector | ENRAF-NONIUS FAST |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 30.710, 42.110, 62.590 |
Unit cell angles | 90.00, 101.55, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.900 |
R-factor | 0.205 * |
Rwork | 0.205 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ehd |
RMSD bond length | 0.016 |
RMSD bond angle | 3.320 |
Data reduction software | MERGF |
Data scaling software | MERGEF ((K.HARATA)) |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.100 | 1.760 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.069 | 0.294 |
Total number of observations | 47712 * | |
Number of reflections | 14774 | |
Completeness [%] | 89.0 | 25 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG8000, zinc acetate, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG8000 | 18 (%) | |
2 | 1 | reservoir | zinc acetate | 0.2 (M) | |
3 | 1 | reservoir | sodium cacodylate | 0.1 (M) |