PDB entry 4aen



Structure
SpacegroupC 2 2 2
Cell dimensionsa: 66.196 Åb: 145.111 Åc: 108.777 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 27008Test set: 1351 (5.0%)
Resolution range34.41 Å2.20 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18340.18520.17700.1799
R-free0.22070.22040.20700.2109
σR-free 0.00420.00400.0041
R-free Z-score 2.713.633.46

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.6590.6220.537
2nd generation packing quality1-0.627-0.683-0.479
Ramachandran plot appearance10.2070.4070.478
Chi-1/Chi-2 rotamer normality1-0.809-0.338-0.188
Backbone conformation1-0.057-0.105-0.121
Bond length RMS Z-score20.3400.3140.317
Bond angle RMS Z-score20.5630.5850.580
Total number of bumps3331920
Unsatisfied H-bond donors/acceptors3161414
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 residues84
Significantly deteriorated residues011
Changes of all residuesPlot Plot

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