Optimised PDB entry 3l6f



Structure
SpacegroupP 21 21 2
Cell dimensionsa: 91.210 Åb: 135.450 Åc: 40.850 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 30339Test set: 3039 (10.0%)
Resolution range43.22 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21200.21100.18350.1817
R-free0.24900.24370.21620.2167
σR-free 0.00440.00390.0039
Z(R-free) 4.142.972.26

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.4240.4030.420
2nd generation packing quality1-0.815-0.726-0.666
Ramachandran plot appearance1-0.1920.5500.635
Chi-1/Chi-2 rotamer normality1-3.046-1.879-1.537
Backbone conformation11.0721.0991.104
Bond length RMS Z-score20.4330.5020.492
Bond angle RMS Z-score20.7360.7430.729
Total number of bumps3411310
Unsatisfied H-bond donors/acceptors3111414
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 residues95
Significantly deteriorated residues0
Changes of all residuesPlot

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