4DH0
X-ray Crystal Structure of 28-O-Methylrapamycin complexed with FKBP12: Is the Cyclohexyl Moiety Part of the Effector Domain of Rapamycin?
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 293 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1993-11-29 |
| Detector | ENRAF-NONIUS FAST |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.500, 49.700, 55.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.960 - 2.100 |
| R-factor | 0.21882 |
| Rwork | 0.217 |
| R-free | 0.25717 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.966 |
| Data reduction software | MADNESS |
| Data scaling software | ROTAVATA |
| Phasing software | X-PLOR |
| Refinement software | REFMAC (5.5.0063) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.290 | |
| Number of reflections | 6946 | |
| <I/σ(I)> | 6.8 | 2.6 |
| Completeness [%] | 90.0 | 84 |
| Redundancy | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 298 | 35% ammonium sulphate, 0.1M Na/K phosphate, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
