Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.15820.16290.15860.1567
R-free0.20800.20800.20230.2010
σR-free 0.00610.00600.0059
Z(R-free) -0.79-0.73-0.93

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.027-0.144-0.111
2nd generation packing quality10.0970.3630.415
Ramachandran plot appearance10.0300.0350.244
Chi-1/Chi-2 rotamer normality1-0.0370.1440.595
Backbone conformation1-1.912-1.959-1.844
Bond length RMS Z-score20.3220.6990.683
Bond angle RMS Z-score20.4960.7620.759
Total number of bumps313107
Unsatisfied H-bond donors/acceptors3151316
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 residues5
Significantly deteriorated residues1
Changes of all residuesPlot

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