spacer Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor
Experimental details
Structure factors Download
Spacegroup I 2 2 2
Parameters
a:71.23Å b:111.97Å c:113.78Å
α:90.0° β:90.0° γ:90.0°
Refinement
Highest Resolution 2.84 Å
Lowest Resolution 21.8 Å
Number of reflections Observed:11051 (100.0% complete) R-free:511 (4.62%)
R-values R = 0.19 Rwork = 0.18 Rfree = 0.22
Diffraction
Dataset 1
Temperature (K) Source Source type Wavelength (Å)
100.0 Synchrotron ESRF BEAMLINE ID23-2 0.87260

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