PDB entry 4elv



Structure
SpacegroupP 31 2 1
Cell dimensionsa: 109.213 Åb: 109.213 Åc: 91.047 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution1.90 Å

Experimental data
ReflectionsAll: 49727Test set: 2491 (5.0%)
Resolution range47.29 Å1.90 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.17600.17410.16390.1755
R-free0.21600.21140.20840.2151
σR-free 0.00300.00300.0030
R-free Z-score 0.57-2.60-0.10

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.115-0.055-0.001
2nd generation packing quality1-0.117-0.316-0.108
Ramachandran plot appearance10.475-0.5540.043
Chi-1/Chi-2 rotamer normality1-0.212-0.847-0.088
Backbone conformation10.6520.6950.618
Bond length RMS Z-score20.4420.8690.506
Bond angle RMS Z-score20.7170.9580.751
Total number of bumps3869058
Unsatisfied H-bond donors/acceptors3314042
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 residues1831
Significantly deteriorated residues1322
Changes of all residuesPlot Plot

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