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5PIG

PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 29)

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 lengths71.413, 71.413, 150.777
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.410 - 1.440
R-factor0.1626
Rwork0.162
R-free0.18460
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)4d6r
RMSD bond length0.026
RMSD bond angle2.343
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]29.41029.4101.460
High resolution limit [Å]1.4407.7401.440
Rmerge0.0670.0380.775
Rmeas0.0690.0400.813
Rpim0.0190.0120.242
Total number of observations916399600036134
Number of reflections69938
<I/σ(I)>23.557.83.2
Completeness [%]97.897.892
Redundancy13.110.910.8
CC(1/2)0.9990.9990.806
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP729828% PEG3350 -- 0.1M HEPES pH 7.0 -- 0.25M ammonium sulfate

229183

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