Optimised PDB entry 1gzk



Structure
SpacegroupP 41 21 2
Cell dimensionsa: 148.405 Åb: 148.405 Åc: 38.547 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 20602Test set: 1509 (7.3%)
Resolution range34.98 Å2.20 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.24800.24890.21000.1997
R-free0.31900.30410.26050.2574
σR-free 0.00780.00670.0066
Z(R-free) 1.000.39-1.09

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.681-1.571-1.487
2nd generation packing quality1-2.837-2.340-1.429
Ramachandran plot appearance1-4.726-1.145-1.343
Chi-1/Chi-2 rotamer normality1-5.449-2.552-2.602
Backbone conformation1-1.093-0.668-1.304
Bond length RMS Z-score20.6010.3930.491
Bond angle RMS Z-score20.8350.6630.765
Total number of bumps31121216
Unsatisfied H-bond donors/acceptors3232723
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 residues118
Significantly deteriorated residues8
Changes of all residuesPlot

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