7AWX
Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 55
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.126, 64.621, 77.979 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.004 - 2.200 |
Rwork | 0.233 |
R-free | 0.30300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tw7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.686 |
Data reduction software | Aimless (0.7.4) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.170 | 42.170 | 2.270 |
High resolution limit [Å] | 2.200 | 9.070 | 2.200 |
Rmerge | 0.080 | 0.046 | 1.122 |
Rmeas | 0.094 | 0.053 | 1.349 |
Rpim | 0.050 | 0.027 | 0.740 |
Number of reflections | 13332 | 234 | 1138 |
<I/σ(I)> | 10 | ||
Completeness [%] | 99.5 | ||
Redundancy | 6.4 | 5.6 | 6 |
CC(1/2) | 0.997 | 0.997 | 0.898 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 40% PEG3350 0.1 M HEPES-NaOH pH 7.5 0.2M ammonium thiocyanate |