1J4U
Structure of Artocarpin Complexed with Me-alpha-Mannose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Spacegroup name | P 61 |
Unit cell lengths | 129.200, 129.200, 78.610 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.900 |
R-factor | 0.222 * |
Rwork | 0.222 |
R-free | 0.25800 |
RMSD bond length | 0.010 |
RMSD bond angle | 3.500 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.157 | 0.416 |
Total number of observations | 31710 * | |
Number of reflections | 15219 | |
Completeness [%] | 91.3 | 83.7 |
Redundancy | 2.1 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.4 | 293 | PBS Buffer, methoxy PEG 350, 10Mg/ml protein, pH 7.4, vapor diffusion, temperature 293.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | pH7.4 |
2 | 1 | drop | 0.15 (M) | ||
3 | 1 | drop | methoxy PEG350 | 40 (%) | |
4 | 1 | reservoir | methoxy PEG350 | 40 (%) |