3O5I
Fk1 domain of FKBP51, crystal form II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.886 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 48.353, 48.353, 180.478 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.2049 |
Rwork | 0.203 |
R-free | 0.24620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o5p |
RMSD bond length | 0.013 |
RMSD bond angle | 1.382 |
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] | 60.193 | 41.885 | 1.900 |
High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
Rmerge | 0.094 | 0.052 | 0.417 |
Total number of observations | 3858 | 17424 | |
Number of reflections | 23588 | ||
<I/σ(I)> | 13.9 | 8.9 | 1.8 |
Completeness [%] | 99.7 | 97.9 | 99.8 |
Redundancy | 5.1 | 4.6 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 35% PEG3350, 0.2 M NH4OAc, 0.1 M HEPES, pH 7.5, vapor diffusion, temperature 293K |