PDB entry 1auk



Structure
SpacegroupI 4 2 2
Cell dimensionsa: 132.630 Åb: 132.630 Åc: 192.060 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 49080Test set: 2463 (5.0%)
Resolution range26.28 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.23200.19450.15240.1523
R-free0.27300.22620.17940.1805
σR-free 0.00320.00260.0026
R-free Z-score 1.030.15-0.31

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.990-1.792-1.768
2nd generation packing quality1-1.572-1.326-1.054
Ramachandran plot appearance1-2.365-1.089-0.792
Chi-1/Chi-2 rotamer normality1-3.217-2.118-1.151
Backbone conformation1-1.234-1.090-1.097
Bond length RMS Z-score20.6270.7570.686
Bond angle RMS Z-score21.4070.9670.855
Total number of bumps3584426
Unsatisfied H-bond donors/acceptors3263734
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 residues290187
Significantly deteriorated residues02
Changes of all residuesPlot Plot

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