Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.15800.15470.15350.1542
R-free0.19300.19100.18580.1848
σR-free 0.00280.00270.0027
Z(R-free) 3.795.265.96

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.816-0.842-0.127
2nd generation packing quality1-0.866-0.880-0.454
Ramachandran plot appearance10.3660.6140.560
Chi-1/Chi-2 rotamer normality1-0.437-0.3240.122
Backbone conformation1-0.815-0.763-0.792
Bond length RMS Z-score20.7340.5050.513
Bond angle RMS Z-score20.7100.7410.750
Total number of bumps313914
Unsatisfied H-bond donors/acceptors3131314
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 residues21
Significantly deteriorated residues31
Changes of all residuesPlot

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