Experimental procedure
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.070, 33.200, 46.120 |
Unit cell angles | 90.00, 110.06, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.500 * |
R-factor | 0.193 * |
Rwork | 0.189 |
RMSD bond length | 0.012 * |
RMSD bond angle | 2.800 * |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
High resolution limit [Å] | 1.300 * |
Rmerge | 0.051 * |
Total number of observations | 25232 * |
Completeness [%] | 91.3 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch method * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | aqueous 1-propanol solution | 10 (%) | |
2 | 1 | 1 | TEL | 100 (mg) | |
3 | 1 | 1 | ammonium sulfate | 3 (M) |