9EUA
The FK1 domain of FKBP51 in complex with SAFit-analog 23d
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 | 48.952, 48.952, 195.947 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.430 - 2.500 |
Rwork | 0.256 |
R-free | 0.30420 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.673 |
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] | 48.990 | 48.990 | 2.600 |
High resolution limit [Å] | 2.500 | 9.010 | 2.500 |
Rmerge | 0.186 | 0.079 | 1.739 |
Rmeas | 0.209 | 0.088 | 1.969 |
Rpim | 0.093 | 0.039 | 0.894 |
Number of reflections | 10131 | 274 | 1103 |
<I/σ(I)> | 7.4 | ||
Completeness [%] | 99.9 | ||
Redundancy | 8.3 | 7.1 | 7.5 |
CC(1/2) | 0.996 | 0.998 | 0.622 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16% PEG3350, 0.2M ammonium thiocyanate, 0.1M HEPES-NaOH pH 7.5 10% ethylene glycol |