8CCA
The Fk1 domain of FKBP51 in complex with SAFit1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.918400 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.625, 48.493, 57.474 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.091 - 1.330 |
Rwork | 0.165 |
R-free | 0.20070 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.916 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.091 | 37.060 | 1.350 |
High resolution limit [Å] | 1.330 | 7.160 | 1.330 |
Rmerge | 0.051 | 0.028 | 0.924 |
Rmeas | 0.062 | 0.033 | 1.185 |
Rpim | 0.034 | 0.017 | 0.730 |
Number of reflections | 29884 | 241 | 1461 |
<I/σ(I)> | 12.1 | ||
Completeness [%] | 99.7 | ||
Redundancy | 5.8 | 5.7 | 4.2 |
CC(1/2) | 0.996 | 0.998 | 0.585 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 18% PEG3350, 0.1 M HEPES pH 7.5, 0.2 M ammonium acetate |