Optimised PDB entry 3zmh



Structure
SpacegroupH 3 2
Cell dimensionsa: 110.150 Åb: 110.150 Åc: 128.630 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 13545Test set: 672 (5.0%)
Resolution range76.62 Å2.30 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.18810.19310.19170.1920
R-free0.22880.22720.21070.2108
σR-free 0.00880.00810.0081
Z(R-free) 1.393.333.36

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.132-1.203-1.396
2nd generation packing quality1-1.062-0.821-0.787
Ramachandran plot appearance1-1.559-0.534-0.710
Chi-1/Chi-2 rotamer normality1-1.438-0.667-0.257
Backbone conformation1-1.428-1.565-1.563
Bond length RMS Z-score20.3370.3740.368
Bond angle RMS Z-score20.5470.5500.543
Total number of bumps3620
Unsatisfied H-bond donors/acceptors3776
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 residues6
Significantly deteriorated residues0
Changes of all residuesPlot

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