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
R0.24500.24540.23940.2459
R-free0.33900.33270.30900.3126
σR-free 0.01050.00980.0099
Z(R-free) -3.64-2.21-1.77

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.556-1.295-1.373
2nd generation packing quality1-2.468-2.027-1.937
Ramachandran plot appearance1-6.464-5.087-4.643
Chi-1/Chi-2 rotamer normality1-6.030-6.071-5.474
Backbone conformation1-0.689-0.662-0.592
Bond length RMS Z-score20.3910.5350.446
Bond angle RMS Z-score20.7490.7810.711
Total number of bumps32684574
Unsatisfied H-bond donors/acceptors3876267
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 residues2
Significantly deteriorated residues4
Changes of all residuesPlot

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