PDB entry 1jc5



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 55.985 Åb: 114.020 Åc: 156.418 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 50033Test set: 5042 (10.1%)
Resolution range14.98 Å2.20 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.24800.24430.22660.2227
R-free0.29300.29130.25510.2492
σR-free 0.00290.00250.0025
R-free Z-score 8.9315.6416.00

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.0870.3470.396
2nd generation packing quality1-0.587-0.291-0.094
Ramachandran plot appearance1-1.3260.2490.492
Chi-1/Chi-2 rotamer normality1-1.370-0.0540.944
Backbone conformation10.5390.6730.597
Bond length RMS Z-score20.3020.6270.607
Bond angle RMS Z-score20.6760.8710.833
Total number of bumps316110082
Unsatisfied H-bond donors/acceptors3565359
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 residues17122
Significantly deteriorated residues010
Changes of all residuesPlot Plot

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