Optimised PDB entry 4frc



Warnings!

Structure
SpacegroupP 1 21 1
Cell dimensionsa: 42.179 Åb: 41.584 Åc: 72.296 Å
α: 90.00°β: 104.20°γ: 90.00°
Resolution0.98 Å

Experimental data
ReflectionsAll: 128518Test set: 1990 (1.5%)
Resolution range16.27 Å0.98 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.12300.11650.10910.1137
R-free0.13900.11750.11570.1237
σR-free 0.00260.00260.0028
Z(R-free) 6.694.122.86

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.071-0.115-0.092
2nd generation packing quality1-2.545-2.673-2.161
Ramachandran plot appearance1-1.845-1.619-1.673
Chi-1/Chi-2 rotamer normality1-0.1550.3420.358
Backbone conformation1-0.905-0.903-1.034
Bond length RMS Z-score20.7470.6900.718
Bond angle RMS Z-score21.2410.9290.926
Total number of bumps3334
Unsatisfied H-bond donors/acceptors3151315
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 residues99
Significantly deteriorated residues28
Changes of all residuesPlot

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