Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.23200.19420.15220.1480
R-free0.27300.22510.17620.1698
σR-free 0.00450.00360.0034
Z(R-free) 0.890.941.41

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.990-1.776-1.777
2nd generation packing quality1-1.806-1.648-1.495
Ramachandran plot appearance1-3.221-1.436-1.241
Chi-1/Chi-2 rotamer normality1-4.701-3.209-1.741
Backbone conformation1-2.332-2.336-2.336
Bond length RMS Z-score20.6270.6610.624
Bond angle RMS Z-score21.4070.9170.865
Total number of bumps3401714
Unsatisfied H-bond donors/acceptors3272321
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 residues304
Significantly deteriorated residues0
Changes of all residuesPlot

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