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5PHT

PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 6)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2012-12-15
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97630
Spacegroup nameP 43 21 2
Unit cell lengths71.304, 71.304, 150.150
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.350 - 1.830
R-factor0.1517
Rwork0.150
R-free0.18860
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)4d6r
RMSD bond length0.020
RMSD bond angle1.862
Data reduction softwareXDS
Data scaling softwareAimless (0.1.27)
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0131)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]29.35029.3501.870
High resolution limit [Å]1.8308.9701.830
Rmerge0.0800.0250.840
Rmeas0.0830.0260.874
Rpim0.0230.0080.238
Total number of observations455402381526809
Number of reflections35032
<I/σ(I)>24.682.23.3
Completeness [%]99.997.398
Redundancy1310.512.9
CC(1/2)1.0000.9990.867
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP729828% PEG3350 -- 0.1M HEPES pH 7.0 -- 0.25M ammonium sulfate

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