Optimised PDB entry 4m5o



Structure
SpacegroupC 2 2 21
Cell dimensionsa: 88.834 Åb: 101.293 Åc: 66.154 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 23499Test set: 1175 (5.0%)
Resolution range29.81 Å1.90 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.18200.30410.19420.1954
R-free0.21800.33520.23140.2291
σR-free 0.00980.00680.0067
Z(R-free) 2.47-0.280.28

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.7700.5830.595
2nd generation packing quality1-0.048-0.211-0.317
Ramachandran plot appearance10.852-0.075-0.170
Chi-1/Chi-2 rotamer normality1-0.071-1.211-0.981
Backbone conformation1-0.424-0.479-0.517
Bond length RMS Z-score20.3330.7740.769
Bond angle RMS Z-score20.5960.9050.904
Total number of bumps391213
Unsatisfied H-bond donors/acceptors31378
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 residues17
Significantly deteriorated residues5
Changes of all residuesPlot

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