Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.19800.18860.16950.1707
R-free0.22800.20680.18560.1877
σR-free 0.00460.00410.0042
Z(R-free) 2.462.542.31

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.606-0.519-0.510
2nd generation packing quality1-1.893-1.854-1.850
Ramachandran plot appearance1-1.589-0.948-1.005
Chi-1/Chi-2 rotamer normality1-1.3550.1410.647
Backbone conformation1-0.560-0.517-0.361
Bond length RMS Z-score21.2770.5010.494
Bond angle RMS Z-score21.2210.7530.749
Total number of bumps31843
Unsatisfied H-bond donors/acceptors36137
LinkLinkLink

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


Density map fit (real-space correlation coefficient)
Significantly improved residues34
Significantly deteriorated residues1
Changes of all residuesPlot

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