Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.26600.26020.19100.1893
R-free0.30300.29710.20470.2037
σR-free 0.00430.00300.0029
Z(R-free) 1.936.506.38

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.0550.0710.138
2nd generation packing quality1-1.166-0.997-0.712
Ramachandran plot appearance1-0.856-0.202-0.044
Chi-1/Chi-2 rotamer normality1-3.374-2.088-1.043
Backbone conformation1-0.128-0.137-0.106
Bond length RMS Z-score20.7600.5920.578
Bond angle RMS Z-score20.8030.7930.767
Total number of bumps3752634
Unsatisfied H-bond donors/acceptors3352830
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 residues868
Significantly deteriorated residues0
Changes of all residuesPlot

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