1JN2
Crystal Structure of meso-tetrasulphonatophenyl porphyrin complexed with Concanavalin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 106.000, 117.300, 126.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.000 - 1.900 |
| Rwork | 0.195 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.089 | |
| Total number of observations | 97008 * | |
| Number of reflections | 31014 | |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 94.0 | 88.4 |
| Redundancy | 3.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.4 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 1.25 (M) | |
| 3 | 1 | reservoir | 0.75 (M) | ||
| 4 | 1 | reservoir | Mn2+ | 1 (mM) | |
| 5 | 1 | reservoir | Ca2+ | 1 (mM) | |
| 6 | 1 | reservoir | Tris | 10 (mM) | pH7.4 |
