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5ML0

Bromodomain of Mouse PCAF with (R)-4-chloro-2-methyl-5-((1-methylpiperidin-3-yl)amino)pyridazin-3(2H)-one

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU FR-E+ SUPERBRIGHT
Temperature [K]100
Detector technologyCCD
Collection date2014-07-22
DetectorRIGAKU SATURN A200
Wavelength(s)1.54178
Spacegroup nameH 3
Unit cell lengths93.481, 93.481, 32.783
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution30.390 - 1.640
R-factor0.18064
Rwork0.179
R-free0.22181
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.005
RMSD bond angle1.012
Data reduction softwareXDS
Data scaling softwareSCALA
Refinement softwareREFMAC (5.8.0073)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.3901.730
High resolution limit [Å]1.6401.640
Rmerge0.0170.039
Number of reflections12718
<I/σ(I)>50.720.8
Completeness [%]97.084.5
Redundancy3.51.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29330% P550MME P20K, 0.1M Morpheus buffer 3 pH8.5, 10% morpheus amino acids

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