PDB entry 4i5c



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 42.700 Åb: 173.969 Åc: 44.675 Å
α: 90.00°β: 94.11°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 37751Test set: 1775 (4.7%)
Resolution range38.25 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19000.20290.19570.2001
R-free0.24500.25990.23140.2372
σR-free 0.00620.00550.0056
R-free Z-score -0.343.153.05

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.958-0.783-0.861
2nd generation packing quality1-0.736-0.593-0.533
Ramachandran plot appearance1-1.289-0.782-0.877
Chi-1/Chi-2 rotamer normality1-2.629-0.509-0.792
Backbone conformation10.0220.1810.283
Bond length RMS Z-score20.6380.3620.383
Bond angle RMS Z-score20.8890.5980.605
Total number of bumps3323741
Unsatisfied H-bond donors/acceptors3222320
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 residues4120
Significantly deteriorated residues614
Changes of all residuesPlot Plot

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