1JW6
Crystal Structure of the Complex of Concanavalin A and Hexapeptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-10-22 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 63.360, 86.380, 89.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.010 - 1.930 |
| R-factor | 0.19 * |
| Rwork | 0.190 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hqw |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.260 * |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.020 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.053 | 0.127 |
| Total number of observations | 71922 * | |
| Number of reflections | 15289 | |
| <I/σ(I)> | 14.5 | 4 |
| Completeness [%] | 87.1 | 80.7 |
| Redundancy | 4.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.45 | 25 * | Sodium phosphate , pH 5.45, VAPOR DIFFUSION, HANGING DROP, temperature 300.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 0.35 (M) | ||
| 2 | 1 | drop | Tris-HCl | 0.01 (M) | |
| 3 | 1 | drop | protein | 25 (mg/ml) | |
| 4 | 1 | drop | sodium phosphate | 2.2 (M) | |
| 5 | 1 | reservoir | sodium phosphate | 2.2 (M) |
