1FKI
DESIGN, SYNTHESIS, AND KINETIC EVALUATION OF HIGH-AFFINITY FKBP LIGANDS, AND THE X-RAY CRYSTAL STRUCTURES OF THEIR COMPLEXES WITH FKBP12
Experimental procedure
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.310, 35.030, 44.380 |
| Unit cell angles | 90.00, 90.83, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.200 |
| R-factor | 0.176 |
| Rwork | 0.176 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 3.000 |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 25.000 * |
| High resolution limit [Å] | 2.200 * |
| Rmerge | 0.037 * |
| Total number of observations | 18931 * |
| Number of reflections | 11398 * |
| Completeness [%] | 94.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein-drug complex | 0.0015ml | |
| 2 | 1 | drop | water | 0.0015ml | |
| 3 | 1 | reservoir | sodium/potassium phosphate | 1.6 (M) |
