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
R0.23200.19390.15150.1478
R-free0.27300.22510.17530.1701
σR-free 0.00450.00350.0034
Z(R-free) 0.820.971.26

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.990-1.771-1.782
2nd generation packing quality1-1.806-1.593-1.490
Ramachandran plot appearance1-3.221-1.422-1.308
Chi-1/Chi-2 rotamer normality1-4.701-3.161-1.769
Backbone conformation1-2.332-2.345-2.349
Bond length RMS Z-score20.6270.6570.620
Bond angle RMS Z-score21.4070.9060.855
Total number of bumps3402117
Unsatisfied H-bond donors/acceptors3312525
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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