- PDB-6hdq: N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH : 8-(((1R,2R,3R,5S)-2-(... -
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Basic information
Entry
Database: PDB / ID: 6hdq
Title
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH : 8-(((1R,2R,3R,5S)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one
Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Feb 27, 2014
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97625 Å / Relative weight: 1
Reflection
Resolution: 1.7→29.37 Å / Num. obs: 15858 / % possible obs: 99.3 % / Redundancy: 5.6 % / Net I/σ(I): 18.2
Reflection shell
Resolution: 1.7→1.79 Å / % possible all: 99.4
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0073
refinement
XDS
datareduction
SCALA
datascaling
Refinement
Resolution: 1.7→29.37 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.947 / SU B: 2.903 / SU ML: 0.094 / Cross valid method: THROUGHOUT / ESU R: 0.124 / ESU R Free: 0.119 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24051
787
5 %
RANDOM
Rwork
0.20453
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obs
0.20633
15033
99.07 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å