Optimised PDB entry 2adj



Structure
SpacegroupP 43 21 2
Cell dimensionsa: 97.224 Åb: 97.224 Åc: 110.976 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.90 Å

Experimental data
ReflectionsAll: 11512Test set: 561 (4.9%)
Resolution range9.98 Å2.85 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21300.22030.21270.2108
R-free0.30000.29690.27030.2665
σR-free 0.01250.01140.0113
Z(R-free) -2.81-1.54-1.42

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.476-0.353-0.315
2nd generation packing quality1-0.1720.3400.576
Ramachandran plot appearance1-3.809-2.075-1.601
Chi-1/Chi-2 rotamer normality1-5.610-4.724-4.405
Backbone conformation10.5860.9301.050
Bond length RMS Z-score20.3550.4060.404
Bond angle RMS Z-score20.6830.6200.649
Total number of bumps3106811
Unsatisfied H-bond donors/acceptors3453432
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 residues5
Significantly deteriorated residues0
Changes of all residuesPlot

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