1C9H
CRYSTAL STRUCTURE OF FKBP12.6 IN COMPLEX WITH RAPAMYCIN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-05-15 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.696, 49.288, 51.694 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.24900 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 25.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | CNS (0.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.060 |
| High resolution limit [Å] | 2.000 | 1.990 |
| Rmerge | 0.065 | 0.247 |
| Number of reflections | 7941 | |
| <I/σ(I)> | 17.8 | |
| Completeness [%] | 94.2 | 86.6 |
| Redundancy | 8.5 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | PEG 4000, LITHIUM SULFATE, HEPES BUFFER, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | rapamycin | 0.012 (mM) | in methanol |
| 3 | 1 | reservoir | PEG4000 | 40 (%) | |
| 4 | 1 | reservoir | lithium sulfate | 0.2 (M) | |
| 5 | 1 | reservoir | HEPES | 0.1 (M) |
