1CYN
CYCLOPHILIN B COMPLEXED WITH [D-(CHOLINYLESTER)SER8]-CYCLOSPORIN
Experimental procedure
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.460, 46.944, 115.442 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.850 |
| R-factor | 0.16 |
| Rwork | 0.160 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.650 |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | |
| High resolution limit [Å] | 1.850 | 1.850 * |
| Rmerge | 0.048 * | |
| Total number of observations | 56456 * | |
| Number of reflections | 15219 | |
| Completeness [%] | 84.1 | 52 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 * | 22 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 100 (mM) | |
| 10 | 1 | reservoir | 0.04 (%) | ||
| 2 | 1 | drop | PEG8000 | 9.75 (%(w/v)) | |
| 3 | 1 | drop | dimethyl sulfoxide | 2.5 (%) | |
| 4 | 1 | drop | 0.02 (%) | ||
| 5 | 1 | drop | cyclophilin B | 0.5 (mM) | |
| 6 | 1 | drop | [CES8]CsA | 0.5 (mM) | |
| 7 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 8 | 1 | reservoir | PEG8000 | 19.5 (%(w/v)) | |
| 9 | 1 | reservoir | dimethyl sulfoxide | 5 (%(v/v)) |
