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
R0.23200.19420.15170.1478
R-free0.27300.22510.17560.1726
σR-free 0.00450.00350.0035
Z(R-free) 0.890.970.51

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.990-1.764-1.781
2nd generation packing quality1-1.572-1.373-1.122
Ramachandran plot appearance1-2.365-0.797-0.682
Chi-1/Chi-2 rotamer normality1-3.217-1.996-0.881
Backbone conformation1-1.234-1.087-1.128
Bond length RMS Z-score20.6270.6560.614
Bond angle RMS Z-score21.4070.9140.833
Total number of bumps3582619
Unsatisfied H-bond donors/acceptors3413735
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 residues292
Significantly deteriorated residues0
Changes of all residuesPlot

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