PDB entry 2hwo



Structure
SpacegroupP 1
Cell dimensionsa: 42.099 Åb: 63.255 Åc: 73.799 Å
α: 78.73°β: 88.04°γ: 89.95°
Resolution2.50 Å

Experimental data
ReflectionsAll: 25355Test set: 1278 (5.0%)
Resolution range43.11 Å2.49 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.23500.24120.22790.2176
R-free0.29200.29100.25590.2513
σR-free 0.00580.00510.0050
R-free Z-score 4.108.146.54

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1 NA NA -1.796
2nd generation packing quality1-2.474-2.070-0.972
Ramachandran plot appearance1-2.349-0.869-0.698
Chi-1/Chi-2 rotamer normality1-2.997-1.708-1.554
Backbone conformation1-0.540-0.214-0.228
Bond length RMS Z-score20.7000.4210.425
Bond angle RMS Z-score20.8060.6290.637
Total number of bumps3684647
Unsatisfied H-bond donors/acceptors3301927
Full WHAT_CHECK reportsLink LinkLink

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

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