Optimised PDB entry 2zpx



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 49.586 Åb: 111.331 Åc: 75.382 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.83 Å

Experimental data
ReflectionsAll: 9762Test set: 1009 (10.3%)
Resolution range55.67 Å2.83 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.26800.26990.27730.2754
R-free0.30900.31280.29720.3072
σR-free 0.00980.00940.0097
Z(R-free) 1.133.792.40

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.581-0.548-0.595
2nd generation packing quality1-1.827-1.465-1.415
Ramachandran plot appearance1-5.263-3.927-3.740
Chi-1/Chi-2 rotamer normality1-5.001-3.148-3.464
Backbone conformation1-0.618-0.420-0.601
Bond length RMS Z-score20.5340.4270.457
Bond angle RMS Z-score20.7910.6800.724
Total number of bumps3123619
Unsatisfied H-bond donors/acceptors3514650
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 residues10
Significantly deteriorated residues4
Changes of all residuesPlot

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