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9EUB

The FK1 domain of FKBP51 in complex with SAFit-analog 24e

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.1
Synchrotron siteBESSY
Beamline14.1
Temperature [K]100
Detector technologyPIXEL
Collection date2022-03-18
DetectorDECTRIS PILATUS3 S 6M
Wavelength(s)0.918400
Spacegroup nameP 32 2 1
Unit cell lengths48.896, 48.896, 195.511
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution41.420 - 2.000
Rwork0.239
R-free0.27720
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.012
RMSD bond angle1.643
Data reduction softwareautoXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0419)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]42.35042.3502.050
High resolution limit [Å]2.0008.9402.000
Rmerge0.0530.0280.590
Rmeas0.0580.0310.647
Rpim0.0240.0130.265
Number of reflections193422841432
<I/σ(I)>22.6
Completeness [%]100.0
Redundancy10.58.311.2
CC(1/2)0.9991.0000.879
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29316% PEG3350, 0.2M sodium thiocyanate, 0.1M HEPES-NaOH pH 7.5 10% ethylene glycol

227344

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