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
R0.20000.19820.16440.1646
R-free0.22900.20450.21250.2156
σR-free 0.00770.00800.0082
Z(R-free) 6.39-0.25-0.60

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.632-0.349-0.389
2nd generation packing quality1-1.128-1.137-0.963
Ramachandran plot appearance1-1.376-0.521-0.547
Chi-1/Chi-2 rotamer normality1-0.0061.1771.163
Backbone conformation10.5160.4990.535
Bond length RMS Z-score20.5440.6730.673
Bond angle RMS Z-score20.7850.8820.870
Total number of bumps326129
Unsatisfied H-bond donors/acceptors3181717
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 residues56
Significantly deteriorated residues0
Changes of all residuesPlot

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