Optimised PDB entry 1k4c



Warnings!

Structure
SpacegroupI 4
Cell dimensionsa: 155.330 Åb: 155.330 Åc: 76.270 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 60791Test set: 6126 (10.1%)
Resolution range42.84 Å2.00 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21800.21430.15740.1576
R-free0.23300.21220.18970.1926
σR-free 0.00270.00240.0025
Z(R-free) 15.26-1.50-2.52

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.1150.0890.115
2nd generation packing quality10.3590.5620.981
Ramachandran plot appearance10.2331.0061.049
Chi-1/Chi-2 rotamer normality1-0.877-2.232-2.107
Backbone conformation11.0131.0211.070
Bond length RMS Z-score20.2941.0471.049
Bond angle RMS Z-score20.6331.0130.993
Total number of bumps3422313
Unsatisfied H-bond donors/acceptors3211917
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 residues426
Significantly deteriorated residues4
Changes of all residuesPlot

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