Optimised PDB entry 3g6h



Structure
SpacegroupP 1
Cell dimensionsa: 41.938 Åb: 63.344 Åc: 74.179 Å
α: 100.99°β: 89.39°γ: 90.20°
Resolution2.35 Å

Experimental data
ReflectionsAll: 28182Test set: 1435 (5.1%)
Resolution range34.74 Å2.35 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.22500.22860.20470.2016
R-free0.28300.28480.24030.2352
σR-free 0.00750.00630.0062
Z(R-free) 1.964.434.66

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.799-1.489-1.569
2nd generation packing quality1-0.913-0.373-0.343
Ramachandran plot appearance1-2.485-0.940-0.777
Chi-1/Chi-2 rotamer normality1-4.344-2.404-2.362
Backbone conformation1-0.563-0.481-0.581
Bond length RMS Z-score20.6080.6200.606
Bond angle RMS Z-score20.7160.7810.770
Total number of bumps3553135
Unsatisfied H-bond donors/acceptors3342828
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 residues95
Significantly deteriorated residues2
Changes of all residuesPlot

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