Optimised PDB entry 1w1o



Structure
SpacegroupP 42 21 2
Cell dimensionsa: 171.693 Åb: 171.693 Åc: 54.322 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.70 Å

Experimental data
ReflectionsAll: 105569Test set: 5267 (5.0%)
Resolution range29.45 Å1.60 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19800.19840.12810.1299
R-free0.21500.21470.16320.1631
σR-free 0.00300.00220.0022
Z(R-free) 18.435.056.18

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.3440.3320.345
2nd generation packing quality1-1.085-1.030-0.885
Ramachandran plot appearance1-0.347-0.348-0.444
Chi-1/Chi-2 rotamer normality1-2.0790.2540.795
Backbone conformation1-0.547-0.549-0.558
Bond length RMS Z-score20.2980.7570.750
Bond angle RMS Z-score20.5570.8200.794
Total number of bumps3383333
Unsatisfied H-bond donors/acceptors3302924
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 residues704
Significantly deteriorated residues0
Changes of all residuesPlot

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