1DQ5
Manganese;Manganese concanavalin A at pH 5.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 291 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1995-07-30 |
| Detector | ENRAF-NONIUS FAST |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 63.230, 87.440, 89.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.21000 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 3.600 |
| Data reduction software | ROTAVATA |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.843) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.068 | 0.275 |
| Number of reflections | 19435 | |
| <I/σ(I)> | 12.94 | 3.65 |
| Completeness [%] | 89.0 | 81.2 |
| Redundancy | 2.5 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 277 | 2.0 M ammonium sulphate, 100 mM sodium acetate, 3% PEG4000, 5 mM Mn2+, crystals of unlocked, metal-free con A were soaked with Mn2+, pH 5.0, temperature 277.0K |
