Optimised PDB entry 4kcf



Structure
SpacegroupI 2 2 2
Cell dimensionsa: 70.828 Åb: 81.297 Åc: 152.628 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 23596Test set: 1193 (5.1%)
Resolution range27.37 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.17500.17540.15380.1515
R-free0.22500.22340.19060.1887
σR-free 0.00650.00550.0055
Z(R-free) 0.000.960.78

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.118-0.078-0.025
2nd generation packing quality1-0.692-0.512-0.417
Ramachandran plot appearance1-1.329-0.174-0.142
Chi-1/Chi-2 rotamer normality1-3.316-2.060-1.568
Backbone conformation1-0.784-0.617-0.554
Bond length RMS Z-score20.5430.6140.597
Bond angle RMS Z-score21.0870.8090.783
Total number of bumps3231714
Unsatisfied H-bond donors/acceptors3141512
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 residues36
Significantly deteriorated residues1
Changes of all residuesPlot

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