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5PTA

PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 154)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2014-08-28
DetectorDECTRIS PILATUS 2M
Wavelength(s)0.9200
Spacegroup nameP 21 21 21
Unit cell lengths55.808, 56.585, 101.880
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.120 - 2.190
R-factor0.1974
Rwork0.195
R-free0.24350
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)5amf
RMSD bond length0.014
RMSD bond angle1.560
Data reduction softwareXDS
Data scaling softwareAimless (0.3.6)
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0131)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]29.12029.1202.250
High resolution limit [Å]2.1909.8002.190
Rmerge0.1420.0200.896
Rmeas0.1550.0220.980
Rpim0.0590.0090.389
Total number of observations11065613487178
Number of reflections16949
<I/σ(I)>12.963.52.2
Completeness [%]98.696.296.1
Redundancy6.55.96
CC(1/2)0.9971.0000.834
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP72930.1M bis-tris pH 7.0 -- 30% PEG3350

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