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 conservative optimisationAfter full optimisation
R0.18810.19350.18670.1870
R-free0.22880.22730.21030.2103
σR-free 0.00880.00810.0081
R-free Z-score 1.432.622.67

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.132-1.120-1.257
2nd generation packing quality1-1.361-1.214-1.096
Ramachandran plot appearance1-0.661-0.046-0.073
Chi-1/Chi-2 rotamer normality1-0.988-0.1720.100
Backbone conformation1-0.165-0.318-0.252
Bond length RMS Z-score20.3370.2890.287
Bond angle RMS Z-score20.5470.5020.495
Total number of bumps3944
Unsatisfied H-bond donors/acceptors3978
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues814
Significantly deteriorated residues310
Changes of all residuesPlot Plot

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