Optimised PDB entry 3eg1



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 45.996 Åb: 47.636 Åc: 55.662 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.85 Å

Experimental data
ReflectionsAll: 10111Test set: 1000 (9.9%)
Resolution range36.19 Å1.85 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.18500.20600.18730.1852
R-free0.24800.26320.24440.2403
σR-free 0.00830.00770.0076
Z(R-free) -0.92-1.56-1.38

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.878-1.773-1.770
2nd generation packing quality10.7691.1680.964
Ramachandran plot appearance1-0.3230.6240.587
Chi-1/Chi-2 rotamer normality1-5.558-3.686-3.651
Backbone conformation11.1421.1301.175
Bond length RMS Z-score20.4560.7570.751
Bond angle RMS Z-score20.9850.7700.760
Total number of bumps31046
Unsatisfied H-bond donors/acceptors3101512
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 residues4
Significantly deteriorated residues0
Changes of all residuesPlot

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