4DRI
Co-crystal structure of the PPIase domain of FKBP51, Rapamycin and the FRB fragment of mTOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9788 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.503, 59.554, 67.787 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.050 - 1.450 |
R-factor | 0.1784 |
Rwork | 0.177 |
R-free | 0.20640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fap |
RMSD bond length | 0.014 |
RMSD bond angle | 1.546 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.1) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 67.787 | 67.787 | 1.530 |
High resolution limit [Å] | 1.450 | 4.590 | 1.450 |
Rmerge | 0.043 | 0.030 | 0.377 |
Total number of observations | 7198 | 20445 | |
Number of reflections | 41315 | ||
<I/σ(I)> | 17.3 | 18.2 | 2 |
Completeness [%] | 95.7 | 97.7 | 93.8 |
Redundancy | 3.8 | 4.9 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 25% PEG3350, 0.1 M NaCl, 0.1M HEPES-NaOH pH 7.5, vapor diffusion, temperature 293K |