1FKH
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 21 21 21 |
Unit cell lengths | 31.450, 43.380, 77.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.950 |
R-factor | 0.161 |
Rwork | 0.161 |
RMSD bond length | 0.014 |
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] | 1.950 * |
Rmerge | 0.082 * |
Total number of observations | 18441 * |
Number of reflections | 6335 * |
Completeness [%] | 98.0 * |
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 | 0.003ml | |
2 | 1 | reservoir | HEPES | ||
3 | 1 | reservoir | sodium/potassium phosphate | 1.6-1.8 (M) |