Optimised PDB entry 1lo5



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 52.008 Åb: 75.792 Åc: 198.082 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.20 Å

Experimental data
ReflectionsAll: 12307Test set: 1005 (8.2%)
Resolution range10.00 Å3.20 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.24500.24560.25900.2504
R-free0.33900.33320.31620.3156
σR-free 0.01050.01000.0100
Z(R-free) -3.67-0.54-1.51

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.642-1.463-1.595
2nd generation packing quality1-2.480-2.062-2.157
Ramachandran plot appearance1-6.418-4.998-4.509
Chi-1/Chi-2 rotamer normality1-6.096-5.240-5.619
Backbone conformation1-1.227-0.860-0.924
Bond length RMS Z-score20.3910.4090.435
Bond angle RMS Z-score20.7490.6730.704
Total number of bumps32685079
Unsatisfied H-bond donors/acceptors3876966
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 residues3
Significantly deteriorated residues8
Changes of all residuesPlot

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