4LAY
Crystal Structure Analysis of FKBP52, Complex with I63
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-27 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.592, 42.351, 76.811 |
Unit cell angles | 90.00, 105.75, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.700 |
R-factor | 0.1703 |
Rwork | 0.168 |
R-free | 0.20510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q1c |
RMSD bond length | 0.012 |
RMSD bond angle | 1.339 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.19) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 73.928 | 45.787 | 1.790 |
High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
Rmerge | 0.057 | 0.039 | 0.305 |
Total number of observations | 3654 | 11937 | |
Number of reflections | 31620 | ||
<I/σ(I)> | 15.9 | 9.6 | 2.5 |
Completeness [%] | 96.9 | 99.3 | 82.6 |
Redundancy | 3.6 | 3.3 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 293 | 25% PEG6000, 0.1 M Tris-HCl, pH 8.0, 4% DMSO, VAPOR DIFFUSION, temperature 293K |