PDB entry 3feg



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 97.994 Åb: 72.987 Åc: 62.397 Å
α: 90.00°β: 117.76°γ: 90.00°
Resolution1.30 Å

Experimental data
ReflectionsAll: 92425Test set: 4612 (5.0%)
Resolution range27.92 Å1.30 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.15800.15290.15330.1548
R-free0.19300.18810.18560.1851
σR-free 0.00280.00270.0027
Z(R-free) 3.965.266.15

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.816-0.824-0.091
2nd generation packing quality1-0.815-0.801-0.498
Ramachandran plot appearance10.8741.1041.108
Chi-1/Chi-2 rotamer normality10.2430.3330.922
Backbone conformation10.1570.1920.145
Bond length RMS Z-score20.7340.4120.422
Bond angle RMS Z-score20.7100.6840.688
Total number of bumps3201727
Unsatisfied H-bond donors/acceptors3181820
LinkLinkLink

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


Density map fit (real-space correlation coefficient)
Significantly improved residues27
Significantly deteriorated residues33
Changes of all residuesPlot

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