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 conservative optimisationAfter full optimisation
R0.19800.20450.16060.1589
R-free0.23000.20200.21460.2096
σR-free 0.00550.00590.0057
R-free Z-score 11.78-0.86-0.40

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.928-0.736-0.694
2nd generation packing quality1-1.194-0.877-0.903
Ramachandran plot appearance1-1.1850.1710.202
Chi-1/Chi-2 rotamer normality1-0.2280.4001.075
Backbone conformation10.2450.2100.256
Bond length RMS Z-score20.5360.6610.616
Bond angle RMS Z-score20.7820.8610.817
Total number of bumps371110
Unsatisfied H-bond donors/acceptors3898
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues4635
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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