PDB entry 4jsr



Structure
SpacegroupP 65
Cell dimensionsa: 119.320 Åb: 119.320 Åc: 44.530 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution1.70 Å

Experimental data
ReflectionsAll: 40014Test set: 2006 (5.0%)
Resolution range35.69 Å1.70 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19800.18830.17180.1739
R-free0.22800.20590.18670.1870
σR-free 0.00330.00290.0030
R-free Z-score 3.584.104.70

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.605-0.521-0.507
2nd generation packing quality1-1.489-1.394-1.385
Ramachandran plot appearance1-1.095-0.710-0.538
Chi-1/Chi-2 rotamer normality1-0.6100.2880.665
Backbone conformation1-0.457-0.358-0.268
Bond length RMS Z-score21.2770.5490.535
Bond angle RMS Z-score21.2210.7630.748
Total number of bumps32945
Unsatisfied H-bond donors/acceptors36109
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 residues4949
Significantly deteriorated residues18
Changes of all residuesPlot Plot

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