PDB entry 3zlr



Structure
SpacegroupP 43 2 2
Cell dimensionsa: 56.241 Åb: 56.241 Åc: 211.950 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.03 Å

Experimental data
ReflectionsAll: 22527Test set: 1152 (5.1%)
Resolution range49.68 Å2.03 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.15820.16290.16120.1600
R-free0.20800.20970.20280.2022
σR-free 0.00440.00420.0042
R-free Z-score -1.48-0.40-0.62

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.0620.0170.029
2nd generation packing quality1-0.369-0.125-0.072
Ramachandran plot appearance10.7330.6640.821
Chi-1/Chi-2 rotamer normality10.5470.8041.327
Backbone conformation1-0.402-0.284-0.414
Bond length RMS Z-score20.3220.6840.662
Bond angle RMS Z-score20.4960.7110.720
Total number of bumps3403021
Unsatisfied H-bond donors/acceptors3151514
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 residues316
Significantly deteriorated residues12
Changes of all residuesPlot Plot

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