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 |