PDB entry 1dku



Warnings!

Structure
SpacegroupP 63
Cell dimensionsa: 115.650 Åb: 115.650 Åc: 106.410 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 50000Test set: 0 (0.0%)
Resolution range22.98 Å1.70 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19800.19360.14380.1421
R-free0.24100.19040.16560.1644
σR-free 0.00310.00270.0026
R-free Z-score 17.395.895.73

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.0210.1480.151
2nd generation packing quality1-1.193-0.927-0.857
Ramachandran plot appearance1-1.848-0.436-0.427
Chi-1/Chi-2 rotamer normality1-2.731-1.060-0.494
Backbone conformation1-0.554-0.426-0.436
Bond length RMS Z-score20.7020.5660.548
Bond angle RMS Z-score20.8640.7190.710
Total number of bumps3813224
Unsatisfied H-bond donors/acceptors3373129
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 residues403146
Significantly deteriorated residues17
Changes of all residuesPlot Plot

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