PDB entry 3zls



Warnings!

Structure
SpacegroupP 61 2 2
Cell dimensionsa: 76.683 Åb: 76.683 Åc: 221.983 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.50 Å

Experimental data
ReflectionsAll: 14176Test set: 0 (0.0%)
Resolution range110.99 Å2.50 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19200.21630.20860.2098
R-free0.23370.21280.24130.2542
σR-free 0.00670.00760.0080
R-free Z-score 12.395.784.09

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.596-0.557-0.602
2nd generation packing quality1-0.778-0.804-0.784
Ramachandran plot appearance1-1.062-0.828-0.781
Chi-1/Chi-2 rotamer normality1-1.847-1.135-0.500
Backbone conformation1-0.210-0.115-0.098
Bond length RMS Z-score20.6810.3630.362
Bond angle RMS Z-score20.9560.5930.585
Total number of bumps3151115
Unsatisfied H-bond donors/acceptors3181623
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 residues2227
Significantly deteriorated residues13
Changes of all residuesPlot Plot

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