PDB entry 4hwr



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 156.899 Åb: 109.777 Åc: 86.995 Å
α: 90.00°β: 123.76°γ: 90.00°
Resolution1.90 Å

Experimental data
ReflectionsAll: 96015Test set: 4806 (5.0%)
Resolution range43.50 Å1.90 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.26600.26100.19170.1901
R-free0.30300.29580.20630.2051
σR-free 0.00430.00300.0030
R-free Z-score 2.476.236.00

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.0550.0760.132
2nd generation packing quality1-0.992-0.871-0.639
Ramachandran plot appearance1-0.689-0.171-0.093
Chi-1/Chi-2 rotamer normality1-1.972-1.165-0.233
Backbone conformation1-0.0720.011-0.078
Bond length RMS Z-score20.7600.6160.595
Bond angle RMS Z-score20.8030.7980.762
Total number of bumps31026055
Unsatisfied H-bond donors/acceptors3362933
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 residues855894
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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