4DRH
Co-crystal structure of the PPIase domain of FKBP51, Rapamycin and the FRB fragment of mTOR at low pH
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) | 0.9814 |
Spacegroup name | P 31 1 2 |
Unit cell lengths | 103.678, 103.678, 106.543 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.1891 |
Rwork | 0.187 |
R-free | 0.22590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fap |
RMSD bond length | 0.012 |
RMSD bond angle | 1.450 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 89.803 | 89.803 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.081 | 0.037 | 0.519 |
Total number of observations | 7017 | 31513 | |
Number of reflections | 29100 | ||
<I/σ(I)> | 18.3 | 16.6 | 1.4 |
Completeness [%] | 99.4 | 97.7 | 98.8 |
Redundancy | 7.4 | 7.2 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 3.5 | 293 | 0.1M citric acid 2M (NH4)2SO4, pH 3.5, vapor diffusion, temperature 293K |