Optimised PDB entry 1kfv



Warnings!

Structure
SpacegroupP 1 21 1
Cell dimensionsa: 69.880 Åb: 62.030 Åc: 80.970 Å
α: 90.00°β: 104.70°γ: 90.00°
Resolution2.55 Å

Experimental data
ReflectionsAll: 21888Test set: 2170 (9.9%)
Resolution range24.56 Å2.55 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.25100.24990.22350.2203
R-free0.28500.28310.25090.2511
σR-free 0.00610.00540.0054
Z(R-free) 13.0013.5612.65

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.528-0.387-0.398
2nd generation packing quality1-1.291-0.930-0.741
Ramachandran plot appearance1-3.135-1.224-1.262
Chi-1/Chi-2 rotamer normality1-2.224-1.960-1.753
Backbone conformation1-0.4330.094-0.013
Bond length RMS Z-score20.3900.4630.475
Bond angle RMS Z-score20.6960.7690.797
Total number of bumps31897682
Unsatisfied H-bond donors/acceptors3433136
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 residues45
Significantly deteriorated residues0
Changes of all residuesPlot

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