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:70.91Å b:111.82Å c:113.57Å
α:90.0° β:90.0° γ:90.0°
Refinement
Highest Resolution 2.7 Å
Lowest Resolution 56.78 Å
Number of reflections Observed:12759 (99.98% complete) R-free:624 (4.89%)
R-values R = 0.19 Rwork = 0.19 Rfree = 0.23
Diffraction
Dataset 1
Temperature (K) Source Source type Wavelength (Å)
100.0 Synchrotron ESRF BEAMLINE ID23-2 0.87260

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