7ACN
CRYSTAL STRUCTURES OF ACONITASE WITH ISOCITRATE AND NITROISOCITRATE BOUND
Experimental procedure
Spacegroup name | B 1 1 2 |
Unit cell lengths | 185.500, 72.000, 73.000 |
Unit cell angles | 90.00, 90.00, 77.70 |
Refinement procedure
Resolution | 8.000 * - 2.100* |
R-factor | 0.161 * |
Rwork | 0.179 |
RMSD bond length | 0.015 |
RMSD bond angle | 3.090 |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
High resolution limit [Å] | 2.100 * | 2.100 * |
Total number of observations | 435630 * | |
Number of reflections | 49211 * | |
Completeness [%] | 89.9 * | 54.7 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | ammonium sulfate | 3.7 (M) | |
2 | 1 | drop | Tris-HCl | 0.5 (M) | |
3 | 1 | reservoir | ammonium sulfate | 2.2 (M) | |
4 | 1 | reservoir | Tris-HCl | 0.5 (M) |