PDB entry 3en5



Structure
SpacegroupP 1
Cell dimensionsa: 42.296 Åb: 62.985 Åc: 74.144 Å
α: 101.14°β: 92.15°γ: 90.12°
Resolution2.66 Å

Experimental data
ReflectionsAll: 21183Test set: 1080 (5.1%)
Resolution range43.14 Å2.66 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20400.20500.20680.1986
R-free0.24800.24980.24250.2292
σR-free 0.00540.00520.0049
R-free Z-score -0.701.101.86

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1 NA NA -1.589
2nd generation packing quality1-1.823-1.723-0.603
Ramachandran plot appearance1-1.286-0.580-0.558
Chi-1/Chi-2 rotamer normality1-2.227-1.066-1.145
Backbone conformation10.0040.019-0.103
Bond length RMS Z-score20.6130.4270.421
Bond angle RMS Z-score20.7410.6310.644
Total number of bumps3443223
Unsatisfied H-bond donors/acceptors3161318
Full WHAT_CHECK reportsLink LinkLink

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

Download

Links