2CAU
CANAVALIN FROM JACK BEAN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 291 |
Detector technology | AREA DETECTOR |
Detector | SDMS |
Spacegroup name | P 21 3 |
Unit cell lengths | 105.990, 105.990, 105.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.100 |
R-factor | 0.175 * |
Rwork | 0.175 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cav |
RMSD bond length | 0.010 |
RMSD bond angle | 27.800 * |
Data reduction software | SDMS |
Data scaling software | SDMS |
Phasing software | MERLOT |
Refinement software | X-PLOR (3.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.180 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.048 | 0.184 |
Total number of observations | 71863 * | |
Number of reflections | 22331 | 3415 * |
<I/σ(I)> | 21 | 3 |
Completeness [%] | 85.5 | 66.5 |
Redundancy | 3.2 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 6.8 | 277-281 * | THIS CRYSTAL FORM COULD BE GROWN ONLY OCCASIONALLY. BASICALLY IT WAS CRYSTALLIZED FROM PURIFIED PROTEIN AFTER TRYPSIN TREATMENT IN PHOSPHATE BUFFERED SALINE, BUT WAS DIFFICULT TO REPRODUCE., pH 6.8 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 15-20 (mg/ml) | |
2 | 1 | drop | 1.0 (%) | ||
3 | 1 | drop | phosphate | 50 (mM) |