1JOJ
CONCANAVALIN A-HEXAPEPTIDE COMPLEX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Detector technology | IMAGE PLATE |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 102.685, 118.384, 253.593 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 3.000 |
R-factor | 0.186 * |
Rwork | 0.186 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cna |
RMSD bond length | 0.011 |
RMSD bond angle | 1.800 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (0.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 3.130 | |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.101 | 0.257 * |
Number of reflections | 23957 | |
<I/σ(I)> | 10.6 | 5.37 |
Completeness [%] | 78.1 | 71.8 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 9 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 0.32 (mM) | |
2 | 1 | drop | peptide | 20-fold molar excess | |
3 | 1 | reservoir | ammonium sulfate | pH9.0 | |
4 | 1 | reservoir | Tris | 50 (mM) |