spacer Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor
EDS summary (view at EDS site)
Original refinement program BUSTER 2.11.2
Resolution from map calculation 2.70 - 56.79 Å
R value for map 0.215
Completeness of data 99.8 %
Number of reflections 12740 (12760 in original CIF file)
Yeates <|L|> 0.472
Yeates <L^2> 0.301
Wilson plot B-factor 86.2 Å2
Bulk-solvent scale factor (k) 0.330 e/Å3
Bulk-solvent B-factor 59.6 Å2
Mean (st. dev.) values for non-water residues:
Real-space R-value 0.218 (0.062)
Real-space correlation coefficient 0.941 (0.062)
Occupancy-weighted average temperature factor 72.5 (15.3) Å2

View more detailed information at EDS.