Optimised PDB entry 3ugo



Structure
SpacegroupP 4 2 2
Cell dimensionsa: 86.134 Åb: 86.134 Åc: 111.728 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 25314Test set: 1318 (5.2%)
Resolution range24.48 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19600.19680.18350.1838
R-free0.23700.23770.21700.2202
σR-free 0.00650.00600.0061
Z(R-free) -0.86-0.10-0.56

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.8650.7740.750
2nd generation packing quality11.1481.0531.050
Ramachandran plot appearance10.5231.2811.087
Chi-1/Chi-2 rotamer normality1-2.171-1.813-1.436
Backbone conformation1-0.249-0.186-0.226
Bond length RMS Z-score20.5590.9330.920
Bond angle RMS Z-score21.0381.0201.012
Total number of bumps3963
Unsatisfied H-bond donors/acceptors3512
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 residues67
Significantly deteriorated residues1
Changes of all residuesPlot

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