PDB entry 3dk3



Structure
SpacegroupP 21 21 2
Cell dimensionsa: 106.254 Åb: 131.806 Åc: 56.229 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.02 Å

Experimental data
ReflectionsAll: 52048Test set: 2594 (5.0%)
Resolution range28.43 Å2.02 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21300.21120.19890.2032
R-free0.24800.24130.22710.2316
σR-free 0.00470.00450.0045
Z(R-free) 2.492.492.64

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.649-0.511-0.468
2nd generation packing quality1-0.236-0.0200.067
Ramachandran plot appearance10.3120.5160.404
Chi-1/Chi-2 rotamer normality1-0.0540.8850.636
Backbone conformation1-0.212-0.437-0.490
Bond length RMS Z-score20.3280.4450.469
Bond angle RMS Z-score20.4760.6460.668
Total number of bumps3153233
Unsatisfied H-bond donors/acceptors310119
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 residues79
Significantly deteriorated residues1
Changes of all residuesPlot

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