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5UFP

Crystal structure of PT2399 bound to HIF2a-B*:ARNT-B* complex

Replaces:  5T0T
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]77
Detector technologyCCD
Collection date2013-07-15
DetectorADSC QUANTUM 315
Wavelength(s)0.97
Spacegroup nameC 1 2 1
Unit cell lengths73.379, 84.057, 41.472
Unit cell angles90.00, 106.48, 90.00
Refinement procedure
Resolution28.890 - 1.900
R-factor0.2206
Rwork0.218
R-free0.27120
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.020
RMSD bond angle2.140
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]28.89050.0001.920
High resolution limit [Å]1.9003.9901.850
Rmerge0.0770.0320.997
Number of reflections18032
<I/σ(I)>16491
Completeness [%]99.498.596.5
Redundancy3.53.63
CC(1/2)0.9970.563
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.4293complex of HIF2-B*:ARNT-B* 10-12 mg/mL in 10 mM Tris-HCl, pH8.0 and 50 mM KCl; Crystallization buffer of 50 mM Bis-Tris, pH5.4 and 16% PEG3350.

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