Experimental procedure
Detector technology | DIFFRACTOMETER |
Collection date | 1994-10-29 |
Detector | ENRAF-NONIUS FAST |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 109.400, 98.800, 48.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.200 |
R-factor | 0.213 |
Rwork | 0.213 |
RMSD bond length | 0.022 |
RMSD bond angle | 27.300 * |
Data reduction software | MADNES |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 12.000 |
High resolution limit [Å] | 2.200 |
Rmerge | 0.047 |
Total number of observations | 100294 * |
Number of reflections | 24707 |
Completeness [%] | 93.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 5.1 * | 297-298 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | ammonium sulfate | 3.2 (M) | |
2 | 1 | 1 | lithium nitrate | 0.5 (M) |