Optimised PDB entry 3imj



Warnings!

Structure
SpacegroupP 1 21 1
Cell dimensionsa: 31.595 Åb: 85.511 Åc: 41.641 Å
α: 90.00°β: 98.47°γ: 90.00°
Resolution2.02 Å

Experimental data
ReflectionsAll: 13813Test set: 697 (5.0%)
Resolution range29.35 Å2.02 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20000.19790.15780.1565
R-free0.22900.20470.20590.2104
σR-free 0.00780.00780.0080
Z(R-free) 6.24-0.50-1.25

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.632-0.318-0.298
2nd generation packing quality1-1.017-0.915-0.814
Ramachandran plot appearance1-1.657-0.925-0.753
Chi-1/Chi-2 rotamer normality1-0.5930.7811.054
Backbone conformation1-0.251-0.020-0.052
Bond length RMS Z-score20.5440.7110.692
Bond angle RMS Z-score20.7850.8990.884
Total number of bumps31138
Unsatisfied H-bond donors/acceptors3101610
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 residues99
Significantly deteriorated residues0
Changes of all residuesPlot

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