Optimised PDB entry 3kfj



Warnings!

Structure
SpacegroupP 43 21 2
Cell dimensionsa: 41.873 Åb: 41.873 Åc: 108.811 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.02 Å

Experimental data
ReflectionsAll: 6723Test set: 0 (0.0%)
Resolution range33.18 Å2.03 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19800.19610.15630.1531
R-free0.23000.20470.21160.2095
σR-free 0.00800.00830.0082
Z(R-free) 6.37-0.94-1.21

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.928-0.755-0.797
2nd generation packing quality1-1.217-0.944-0.884
Ramachandran plot appearance1-1.5690.3590.104
Chi-1/Chi-2 rotamer normality1-0.9820.8521.160
Backbone conformation1-0.206-0.322-0.398
Bond length RMS Z-score20.5360.4040.391
Bond angle RMS Z-score20.7820.7220.690
Total number of bumps3522
Unsatisfied H-bond donors/acceptors3697
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 residues30
Significantly deteriorated residues0
Changes of all residuesPlot

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