Mass: 23466.031 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): Expi293 HEK / Production host: Homo sapiens (human) / References: UniProt: Q7Z3Y4
#2: Antibody
HerceptinFabarmheavychain
Mass: 24717.592 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): Expi293 HEK / Production host: Homo sapiens (human)
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 2.42 Å3/Da / Density % sol: 49.1 % / Description: plate-like
Crystal grow
Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: 200 mM ammonium acetate, 100 mM Bis-Tris, pH 5.5, 25% v/v PEG3350
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Data collection
Diffraction
Mean temperature: 100 K
Diffraction source
Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9537 Å
Resolution: 2.8→42.08 Å / Cor.coef. Fo:Fc: 0.886 / Cor.coef. Fo:Fc free: 0.837 / WRfactor Rfree: 0.3148 / WRfactor Rwork: 0.256 / FOM work R set: 0.6962 / SU B: 54.515 / SU ML: 0.468 / SU R Cruickshank DPI: 0.424 / SU Rfree: 0.5005 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.501 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.3062
956
4.9 %
RANDOM
Rwork
0.2511
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obs
0.2538
18615
90.46 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
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