9EU9
The FK1 domain of FKBP51 in complex with SAFit-analog 15i
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-17 |
Detector | DECTRIS PILATUS3 S 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 48.896, 48.896, 194.925 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.381 - 1.800 |
Rwork | 0.220 |
R-free | 0.25730 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.796 |
Data reduction software | autoXDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.381 | 42.350 | 1.840 |
High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
Rmerge | 0.054 | 0.031 | 1.006 |
Rmeas | 0.057 | 0.033 | 1.056 |
Rpim | 0.018 | 0.011 | 0.319 |
Number of reflections | 26175 | 276 | 1495 |
<I/σ(I)> | 27.4 | ||
Completeness [%] | 100.0 | ||
Redundancy | 19 | 12.4 | 20.5 |
CC(1/2) | 0.999 | 0.998 | 0.875 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16% PEG3350, 0.2M ammonium acetate, 0.1M HEPES-NaOH pH 7.5 |