Optimised PDB entry 4imw



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 51.685 Åb: 111.393 Åc: 164.177 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 52112Test set: 2596 (5.0%)
Resolution range43.74 Å2.15 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21300.22830.19170.1939
R-free0.27300.28260.22880.2313
σR-free 0.00550.00450.0045
Z(R-free) 1.403.333.40

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.232-0.891-0.874
2nd generation packing quality1-1.660-1.187-1.319
Ramachandran plot appearance1-2.554-0.663-0.487
Chi-1/Chi-2 rotamer normality1-4.394-2.803-2.587
Backbone conformation1-1.918-1.586-1.395
Bond length RMS Z-score20.6840.6250.620
Bond angle RMS Z-score20.7770.8030.800
Total number of bumps31106156
Unsatisfied H-bond donors/acceptors3797172
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 residues223
Significantly deteriorated residues2
Changes of all residuesPlot

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