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5PMV

PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 189)

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 lengths71.623, 71.623, 150.799
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.480 - 1.340
R-factor0.1552
Rwork0.154
R-free0.17530
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)4d6r
RMSD bond length0.027
RMSD bond angle2.385
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]29.48029.4801.360
High resolution limit [Å]1.3407.2101.340
Rmerge0.0710.0420.804
Rmeas0.0740.0440.856
Rpim0.0210.0130.287
Total number of observations1112591814336139
Number of reflections88771
<I/σ(I)>21.766.52.6
Completeness [%]99.898.696
Redundancy12.511.98.4
CC(1/2)0.9990.9990.803
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP729828% PEG3350 -- 0.1M HEPES pH 7.0 -- 0.25M ammonium sulfate

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