7R0L
Structure of the FK1 domain of the FKBP51 G64S variant 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 | 2021-12-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.106, 48.592, 57.191 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.003 - 1.100 |
Rwork | 0.143 |
R-free | 0.17060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tw6 |
RMSD bond length | 0.019 |
RMSD bond angle | 2.149 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.110 | 45.110 | 1.120 |
High resolution limit [Å] | 1.100 | 6.020 | 1.100 |
Rmerge | 0.061 | 0.023 | 1.316 |
Rmeas | 0.073 | 0.027 | 1.584 |
Rpim | 0.039 | 0.014 | 0.869 |
Number of reflections | 51727 | 385 | 2513 |
<I/σ(I)> | 11.9 | ||
Completeness [%] | 99.9 | ||
Redundancy | 6.3 | 5.9 | 6.1 |
CC(1/2) | 0.999 | 0.999 | 0.683 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 12% PEG3350, 0.2 M NH4-acetate and HEPES-NaOH pH 7.5 |