3O5Q
Fk1 domain mutant A19T of FKBP51, crystal form IV, in presence of DMSO
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 21 21 21 |
Unit cell lengths | 42.396, 53.514, 56.381 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 0.960 |
R-factor | 0.1308 |
Rwork | 0.130 |
R-free | 0.15250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o5p |
RMSD bond length | 0.014 |
RMSD bond angle | 1.546 |
Data scaling software | SCALA (3.2.25) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.885 | 38.814 | 1.010 |
High resolution limit [Å] | 0.949 | 3.040 | 0.949 |
Rmerge | 0.032 | 0.019 | 0.300 |
Total number of observations | 14382 | 28594 | |
Number of reflections | 74281 | ||
<I/σ(I)> | 19.7 | 34.1 | 2.6 |
Completeness [%] | 94.6 | 98.1 | 88.3 |
Redundancy | 3.5 | 5.4 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 37.5 % PEG3350, 0.1 M NH4OAc, 0.1 M HEPES, 10 % DMSO, vapor diffusion, temperature 293K |