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7F2J

Crystal structure of AtFKBP53 FKBD in complex with rapamycin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-2
Synchrotron siteESRF
BeamlineID23-2
Temperature [K]100
Detector technologyPIXEL
Collection date2017-12-01
DetectorDECTRIS EIGER X 4M
Wavelength(s)0.9677
Spacegroup nameP 1 21 1
Unit cell lengths28.301, 73.949, 61.950
Unit cell angles90.00, 101.01, 90.00
Refinement procedure
Resolution47.010 - 1.600
R-factor0.17814
Rwork0.177
R-free0.20668
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6j2m
RMSD bond length0.009
RMSD bond angle1.417
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.0101.650
High resolution limit [Å]1.6001.600
Rmerge0.0630.541
Number of reflections327981594
<I/σ(I)>112.3
Completeness [%]99.298.6
Redundancy4.44.3
CC(1/2)0.9980.743
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.52910.2 M Lithium sulfate monohydrate, 0.1 M Bis-Tris (pH 6.5), 25% w/v PEG 3350

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