Optimised PDB entry 2zjc



Structure
SpacegroupH 3
Cell dimensionsa: 135.873 Åb: 135.873 Åc: 58.023 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.50 Å

Experimental data
ReflectionsAll: 13445Test set: 1375 (10.2%)
Resolution range41.31 Å2.50 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20100.19970.18690.1715
R-free0.27200.26800.23280.2282
σR-free 0.00720.00630.0062
Z(R-free) 3.006.063.31

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.435-0.204-0.327
2nd generation packing quality1-1.825-1.542-1.455
Ramachandran plot appearance1-2.935-2.180-2.296
Chi-1/Chi-2 rotamer normality1-5.956-4.700-3.900
Backbone conformation10.3880.3980.171
Bond length RMS Z-score20.4400.5020.616
Bond angle RMS Z-score20.6270.7850.846
Total number of bumps3442022
Unsatisfied H-bond donors/acceptors3444951
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 residues37
Significantly deteriorated residues5
Changes of all residuesPlot

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