7A6W
Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 33-(Z)
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 | 2019-06-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918400 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.797, 47.869, 61.981 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.270 - 1.850 |
Rwork | 0.183 |
R-free | 0.26710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tw7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.645 |
Data reduction software | Aimless (0.7.4) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.270 | 32.270 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.175 | 0.055 | 1.727 |
Rmeas | 0.247 | 0.077 | 2.430 |
Rpim | 0.173 | 0.055 | 1.708 |
Number of reflections | 34142 | 237 | 1668 |
<I/σ(I)> | 3 | ||
Completeness [%] | 96.1 | ||
Redundancy | 3.1 | 3.4 | 2.9 |
CC(1/2) | 0.981 | 0.984 | 0.233 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 24% PEG-3350, 0.2 M NH4-acetate, 0.1 M HEPES-NaOH pH 7.5 |