3O5R
Complex of Fk506 with the Fk1 domain mutant A19T of FKBP51
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9756 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.051, 54.784, 56.816 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.100 |
R-factor | 0.1243 |
Rwork | 0.123 |
R-free | 0.15700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o5p |
RMSD bond length | 0.014 |
RMSD bond angle | 0.031 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Refinement software | SHELX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.437 | 28.772 | 1.160 |
High resolution limit [Å] | 0.945 | 3.480 | 0.945 |
Rmerge | 0.079 | 0.043 | 0.471 |
Total number of observations | 12500 | 50964 | |
Number of reflections | 53931 | ||
<I/σ(I)> | 14.7 | 13.2 | 1.6 |
Completeness [%] | 99.8 | 99.7 | 99.8 |
Redundancy | 6.7 | 6.7 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 0.2 M NH4-acetate, 0.1 M HEPES, 25 % PEG3350, pH 7.5, vapor diffusion, temperature 293K |