PDB entry 1hxy



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 123.624 Åb: 122.843 Åc: 48.513 Å
α: 90.00°β: 100.13°γ: 90.00°
Resolution2.60 Å

Experimental data
ReflectionsAll: 21105Test set: 1075 (5.1%)
Resolution range29.32 Å2.60 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20200.20560.19220.1890
R-free0.25800.25730.25120.2431
σR-free 0.00550.00540.0052
R-free Z-score 7.425.095.96

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.028-0.0150.147
2nd generation packing quality1-1.312-1.210-0.917
Ramachandran plot appearance1-2.223-0.664-0.636
Chi-1/Chi-2 rotamer normality1-2.380-2.142-1.937
Backbone conformation10.4590.3850.362
Bond length RMS Z-score20.3510.3830.380
Bond angle RMS Z-score20.6580.6220.613
Total number of bumps31316745
Unsatisfied H-bond donors/acceptors3353533
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues3010
Significantly deteriorated residues03
Changes of all residuesPlot Plot

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