9EUB
The FK1 domain of FKBP51 in complex with SAFit-analog 24e
This is a non-PDB format compatible entry.
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 | 2022-03-18 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.918400 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 48.896, 48.896, 195.511 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.420 - 2.000 |
Rwork | 0.239 |
R-free | 0.27720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.643 |
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] | 42.350 | 42.350 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.053 | 0.028 | 0.590 |
Rmeas | 0.058 | 0.031 | 0.647 |
Rpim | 0.024 | 0.013 | 0.265 |
Number of reflections | 19342 | 284 | 1432 |
<I/σ(I)> | 22.6 | ||
Completeness [%] | 100.0 | ||
Redundancy | 10.5 | 8.3 | 11.2 |
CC(1/2) | 0.999 | 1.000 | 0.879 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16% PEG3350, 0.2M sodium thiocyanate, 0.1M HEPES-NaOH pH 7.5 10% ethylene glycol |