8PJ8
FKBP51FK1 F67E/K60Orn (i, i+7) 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 | 2023-01-21 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.918400 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.223, 48.369, 57.195 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.960 - 1.500 |
Rwork | 0.184 |
R-free | 0.20690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.794 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.220 | 45.220 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.058 | 0.021 | 1.156 |
Rmeas | 0.066 | 0.023 | 1.317 |
Rpim | 0.030 | 0.010 | 0.621 |
Number of reflections | 20120 | 155 | 947 |
<I/σ(I)> | 18.7 | ||
Completeness [%] | 97.6 | ||
Redundancy | 8.5 | 7.4 | 8.2 |
CC(1/2) | 0.999 | 1.000 | 0.729 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 30% PEG3350, 0.2M NH4-acetate, 0.1M HEPES-NaOH pH 7.5 |