9EU6
The FK1 domain of FKBP51 in complex with SAFit-analog 23j
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 | 2022-09-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.918400 |
Spacegroup name | P 31 |
Unit cell lengths | 48.176, 48.176, 94.031 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.756 - 1.540 |
Rwork | 0.193 |
R-free | 0.22240 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.717 |
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] | 47.020 | 47.020 | 1.570 |
High resolution limit [Å] | 1.540 | 8.440 | 1.540 |
Rmerge | 0.049 | 0.022 | 1.342 |
Rmeas | 0.060 | 0.026 | 1.711 |
Rpim | 0.035 | 0.015 | 1.047 |
Number of reflections | 36113 | 226 | 1778 |
<I/σ(I)> | 14.6 | ||
Completeness [%] | 99.9 | ||
Redundancy | 5.6 | 5.9 | 4.5 |
CC(1/2) | 0.999 | 0.999 | 0.239 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 45% Pentaerythritol propoxylate 5/4 PO/OH, 15% ethanol |