PDB entry 3i5s


SpacegroupP 1 21 1
Cell dimensionsa: 49.333 Åb: 61.049 Åc: 61.014 Å
α: 90.00°β: 111.38°γ: 90.00°
Resolution3.00 Å

Experimental data
ReflectionsAll: 6380Test set: 0 (0.0%)
Resolution range45.94 Å3.00 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
σR-free 0.00780.00780.0078
R-free Z-score 1.784.494.49

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.941-2.096-2.096
2nd generation packing quality10.7420.7710.771
Ramachandran plot appearance1-2.786-1.999-1.999
Chi-1/Chi-2 rotamer normality1-4.289-2.364-2.364
Backbone conformation10.1300.3160.316
Bond length RMS Z-score20.2370.2720.272
Bond angle RMS Z-score20.4380.4430.443
Total number of bumps31955
Unsatisfied H-bond donors/acceptors3241717
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues01
Significantly deteriorated residues16
Changes of all residuesPlot Plot