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 conservative optimisationAfter full optimisation
R0.19800.19760.12730.1335
R-free0.21500.21330.16350.1693
σR-free 0.00290.00230.0023
Z(R-free) 19.174.225.35

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.3750.3840.400
2nd generation packing quality1-0.840-0.705-0.596
Ramachandran plot appearance10.093-0.020-0.148
Chi-1/Chi-2 rotamer normality1-1.4510.1910.697
Backbone conformation10.1920.1630.203
Bond length RMS Z-score20.2980.7390.735
Bond angle RMS Z-score20.5570.7920.773
Total number of bumps3144734
Unsatisfied H-bond donors/acceptors3322119
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 residues861
Significantly deteriorated residues0
Changes of all residuesPlot

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